General Information of This Payload
Payload ID
PAY0IEFIL
Name
Temozolomide
Synonyms
Temozolomide; 85622-93-1; Methazolastone; Temodar; Temodal; Temozolamide; 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; Sch 52365; CCRG-81045; Temozolomidum [Latin]; Temozolodida [Spanish]; Temozolomidum; CCRG 81045; NSC 362856; Sch-52365; Temozolodida; M&B 39831; M&B-39831; NSC-362856; temomedac; C6H6N6O2; CCRIS 8996; MB 39831; Temozolomide [INN:BAN]; 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one; M & B 39831; Temodal (TN); Temodar (TN); BRN 5547136; M-39831; 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide; NSC362856; 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; CHEMBL810; 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide; UNII-YF1K15M17Y; MLS002701861; YF1K15M17Y; Temozolomide (JAN/USAN/INN); Temozolomide [USAN:INN:BAN]; DTXSID5043714; CHEBI:72564; Mk-7365; TMZ; NCGC00167429-01; 3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide; 8-CARBAMOYL-3-METHYLIMIDAZO[5,1-D]-1,2,3,5-TETRAZIN-4(3H)-ONE; DTXCID3023714; TMZ-Bioshuttle; 3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide; 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.; 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide; Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-; SMR000466338; CAS-85622-93-1; Temozolomide, VETRANAL(TM), analytical standard; SR-01000759347; temozolomida; 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide; Temozolomide Teva; Temozolomide Hexal; Temozolomide Sandoz; Temozolomide Hospira; MFCD00866492; Temozolomide- Bio-X; Temozolomide [BAN:INN]; TEMOZOLOMIDE [MI]; TEMOZOLOMIDE [INN]; TEMOZOLOMIDE [JAN]; D0C8EU; Essex brand of temozolomide; Temodar (TN) (Schering); TEMOZOLOMIDE [USAN]; SCHEMBL3739; 4-methyl-5-oxo-2,3,4,6,8-pentazabicyclo[4.3.0]nona-2,7,9-triene-9-carboxamide; Scheringbrand of temozolomide; TEMOZOLOMIDE [VANDF]; TEMOZOLOMIDE [MART.]; MLS000759447; MLS001424028; BIDD:GT0204; TEMOZOLOMIDE [USP-RS]; TEMOZOLOMIDE [WHO-DD]; GTPL7301; TEMOZOLOMIDE [EMA EPAR]; Temozolomide, >=98% (HPLC); BPEGJWRSRHCHSN-UHFFFAOYSA-N; HMS2051O12; HMS2090B08; HMS2232N13; HMS3264I14; HMS3269P05; HMS3372K13; HMS3393O12; HMS3413D06; HMS3654N05; HMS3677D06; HMS3713H16; Pharmakon1600-01502289; TEMOZOLOMIDE [ORANGE BOOK]; TEMOZOLOMIDE [EP MONOGRAPH]; 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; BCP03692; TEMOZOLOMIDE [USP MONOGRAPH]; Tox21_112433; AC-758; BDBM50034562; DL-190; NSC759883; s1237; Schering-Plough brand of temozolomide; STK623541; 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo-[5,1-d][1,2,3,5]tetrazine-8-carboxamide; AKOS005557098; Tox21_112433_1; CCG-100870; CS-0943; DB00853; KS-1216; NC00120; NSC-759883; NCGC00167429-02; NCGC00167429-04; NCGC00167429-05; BP-25388; BT164447; HY-17364; LS-80558; NCI60_003316; BCP0726000154; M B 39831; Temozolomide 100 microg/mL in Acetonitrile; AM20110227; FT-0630936; FT-0674845; SW197500-4; T2744; D06067; EN300-122324; AB00639915-06; AB00639915-08; AB00639915-09; AB00639915_10; AB00639915_11; A841386; Q425088; Q-201786; SR-01000759347-4; SR-01000759347-5; BRD-K32107296-001-04-5; Z1201620684; 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide; Temozolomide, United States Pharmacopeia (USP) Reference Standard; 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 3-Methyl-8-aminocarbonyl-imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one; Imidazo[5,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-; {Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3, 4-dihydro-3-methyl-4-oxo-; Temozolomide, Pharmaceutical Secondary Standard; Certified Reference Material; 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (Temozolomide); 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide(Temozolomide)
   Click to Show/Hide
Target(s) Human Deoxyribonucleic acid (hDNA)
Structure
Formula
C6H6N6O2
Isosmiles
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
PubChem CID
5394
InChI
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
InChIKey
BPEGJWRSRHCHSN-UHFFFAOYSA-N
IUPAC Name
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Pharmaceutical Properties
Molecule Weight
194.15
Polar area
106
Complexity
315
xlogp Value
-1.1
Heavy Count
14
Rot Bonds
1
Hbond acc
5
Hbond Donor
1
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
A-549 cells
Lung adenocarcinoma
CVCL_0023 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
Hs 578T cells
Invasive breast carcinoma
CVCL_0332 
[1]
Half Maximal Inhibitory Concentration (IC50) 100000 nM
Non-small cell lung cancer cells
Non-small cell lung cancer
Undisclosed [2]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
PC-3 cells
Prostate carcinoma
CVCL_0035 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SN12C cells
Renal cell carcinoma
CVCL_1705 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SW620 cells
Colon adenocarcinoma
CVCL_0547 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
RPMI-8226 cells
Plasma cell myeloma
CVCL_0014 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[1]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SK-MEL-2 cells (MEK inhibitor-resistant)
Melanoma
CVCL_0069 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
DU145 cells
Prostate carcinoma
CVCL_0105 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
COLO 205 cells
Colon adenocarcinoma
CVCL_0218 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
Caki-1 cells
Clear cell renal cell carcinoma
CVCL_0234 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
DLD-1 cells
Colon adenocarcinoma
CVCL_0248 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HCT 116 cells
Colon carcinoma
CVCL_0291 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HCT 15 cells
Colon adenocarcinoma
CVCL_0292 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HT-29 cells
Colon adenocarcinoma
CVCL_0320 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
MDA-MB-435 cells
Amelanotic melanoma
CVCL_0417 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-H460 cells
Lung large cell carcinoma
CVCL_0459 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
OVCAR-3 cells (FZD7 overexpression)
Ovarian serous adenocarcinoma
CVCL_0465 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SK-MEL-28 cells (BRAF inhibitor resistant)
Cutaneous melanoma
CVCL_0526 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SK-MEL-5 cells
Cutaneous melanoma
CVCL_0527 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
T-47D cells
Invasive breast carcinoma
CVCL_0553 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
786-O cells
Renal cell carcinoma
CVCL_1051 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
DMS 114 cells
Lung small cell carcinoma
CVCL_1174 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
IGROV-1 cells
Ovarian endometrioid adenocarcinoma
CVCL_1304 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-ADR-RES cells
High grade ovarian serous adenocarcinoma
CVCL_1452 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-H226 cells
Pleural epithelioid mesothelioma
CVCL_1544 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-H23 cells
Lung adenocarcinoma
CVCL_1547 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-H322M cells
Minimally invasive lung adenocarcinoma
CVCL_1557 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
OVCAR-5 cells
Ovarian serous adenocarcinoma
CVCL_1628 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
OVCAR-8 cells
High grade ovarian serous adenocarcinoma
CVCL_1629 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SF539 cells
Gliosarcoma
CVCL_1691 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
MDA-MB-231 cells (5T4 overexpression)
Breast adenocarcinoma
CVCL_0062 
[1]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
NCI-H1299 cells (MMAE resistant)
Lung large cell carcinoma
CVCL_0060 
[4]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SF268 cells
Astrocytoma
CVCL_1689 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
MCF7-F (fulvestrant resistant) cells
Invasive breast carcinoma
CVCL_0031 
[1]
Half Maximal Inhibitory Concentration (IC50) 100000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 100000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 100000 nM
NCI cells
Normal
Undisclosed [2]
Tumor Growth Inhibition value (TGI) >100000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Cell Growth Inhibitory Concentration (GI50) >100000 nM
Panel NCI-60 cells
Normal
Undisclosed [5]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
MDA-MB-238 cells
Breast adenocarcinoma
Undisclosed [4]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
SH-SY5Y cells
Bone marrow neuroblastoma
CVCL_0019 
[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
ACHN cells
Renal adenocarcinoma
CVCL_1067 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
BT-549 cells
Breast ductal carcinoma
CVCL_1092 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
EKVX cells
Non-small cell lung carcinoma
CVCL_1195 
[1]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
H4 cells
Neuroglioma
CVCL_1239 
[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HCC 2998 cells
Colon adenocarcinoma
CVCL_1266 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HOP-62 cells
Non-small cell lung carcinoma
CVCL_1285 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HOP-92 cells
Non-small cell lung carcinoma
CVCL_1286 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
KM12 cells
Colon adenocarcinoma
CVCL_1331 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
M14 cells
Melanoma
CVCL_1395 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
Malme-3M cells
Melanoma
CVCL_1438 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
NCI-H522 cells
Non-small cell lung carcinoma
CVCL_1567 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
OVCAR-4 cells
Ovarian adenocarcinoma
CVCL_1627 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
RXF 393 cells
Renal carcinoma
CVCL_1673 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SF-295 cells
Glioblastoma
CVCL_1690 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SR cells
Leukemia
CVCL_1711 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
TK-10 cells
Renal carcinoma
CVCL_1773 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
UACC-257 cells
Melanoma
CVCL_1779 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
UACC-62 cells
Melanoma
CVCL_1780 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
MDA-N cells
Breast carcinoma
CVCL_1910 
[1]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
WM 266-4 cells
Thigh metastasis of melanoma
CVCL_2765 
[4]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
XF498 cells
Glioma
CVCL_8928 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
SNB-78 cells
Glioblastoma
CVCL_B321 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
M19-MEL cells
Melanoma
CVCL_B415 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
LXFL 529 cells
Non-small cell lung carcinoma
CVCL_D085 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
KM-20L2 cells
Colon carcinoma
CVCL_D889 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 100000 nM
HOP-18 cells
Non-small cell lung adenocarcinoma
CVCL_H642 
[1]
Half Maximal Inhibitory Concentration (IC50) >100000 nM
GL261 cells
Glioblastoma
CVCL_Y003 
[6]
Half Maximal Inhibitory Concentration (IC50) >1000000 nM
Astrocyte cells
Normal
Undisclosed [7]
Half Maximal Inhibitory Concentration (IC50) 1000000 nM
MDCK cells
Normal
CVCL_0422 
[8]
Half Maximal Inhibitory Concentration (IC50) >1000000 nM
MDCK cells
Normal
CVCL_0422 
[8]
Half Maximal Inhibitory Concentration (IC50) >1000000 nM
MDCK cells
Normal
CVCL_0422 
[8]
Half Maximal Inhibitory Concentration (IC50) 106700 nM
RG2 cells
Glioma
CVCL_3581 
[9]
Half Maximal Inhibitory Concentration (IC50) 1100000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[10]
Half Maximal Inhibitory Concentration (IC50) 119300 nM
DBTRG-05MG cells
Anaplastic astrocytoma
CVCL_1169 
[9]
Half Maximal Inhibitory Concentration (IC50) 120000 nM
MDA-MB-436 cells
Metastasis of ductal carcinoma
CVCL_0623 
[11]
Half Maximal Inhibitory Concentration (IC50) 12740 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[12]
Half Maximal Inhibitory Concentration (IC50) 156100 nM
K-562 cells
Chronic myelogenous leukemia
CVCL_0004 
[13]
Half Maximal Inhibitory Concentration (IC50) 1720000 nM
WiDr cells
Colon adenocarcinoma
CVCL_2760 
[14]
Half Maximal Inhibitory Concentration (IC50) 175000 nM
Raji cells
EBV-related Burkitt lymphoma
CVCL_0511 
[15]
Half Maximal Inhibitory Concentration (IC50) 183000 nM
A2780 cells
Ovarian endometrioid adenocarcinoma
CVCL_0134 
[16]
Half Maximal Inhibitory Concentration (IC50) 188000 nM
A2780 cells
Ovarian endometrioid adenocarcinoma
CVCL_0134 
[16]
Half Maximal Inhibitory Concentration (IC50) 19380 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[17]
Half Maximal Inhibitory Concentration (IC50) >19952.62 nM
Vero C1008 cells
Normal
CVCL_0574 
[18]
Half Maximal Inhibitory Concentration (IC50) >20000 nM
Vero C1008 cells
Normal
CVCL_0574 
[18]
Half Maximal Effective Concentration (EC50) >200000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[19]
Half Maximal Inhibitory Concentration (IC50) >200000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[20]
Half Maximal Effective Concentration (EC50) >200000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[19]
Half Maximal Inhibitory Concentration (IC50) >200000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[20]
Half Maximal Inhibitory Concentration (IC50) >200000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[21]
Half Maximal Inhibitory Concentration (IC50) 220000 nM
U-373MG ATCC cells
Astrocytoma
CVCL_2219 
[22]
Half Maximal Inhibitory Concentration (IC50) 258000 nM
B16-F10 cells
Mouse melanoma
CVCL_0159 
[22]
Half Maximal Inhibitory Concentration (IC50) 26000 nM
U-138MG cells
Astrocytoma
CVCL_0020 
[23]
Half Maximal Inhibitory Concentration (IC50) 2898000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[24]
Half Maximal Inhibitory Concentration (IC50) 3.3 nM
KB cells
Human papillomavirus-related endocervical adenocarcinoma
CVCL_0372 
[25]
Half Maximal Inhibitory Concentration (IC50) >30000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[26]
Half Maximal Inhibitory Concentration (IC50) >30000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[26]
Half Maximal Inhibitory Concentration (IC50) >30000 nM
C6 cells
Glioma
CVCL_0194 
[26]
Half Maximal Inhibitory Concentration (IC50) 3186000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[24]
Half Maximal Inhibitory Concentration (IC50) 34000 nM
C6 cells
Glioma
CVCL_0194 
[23]
Half Maximal Inhibitory Concentration (IC50) 343000 nM
COLO 205 cells
Colon adenocarcinoma
CVCL_0218 
[27]
Half Maximal Inhibitory Concentration (IC50) 348200 nM
RG2 cells
Glioma
CVCL_3581 
[9]
Half Maximal Inhibitory Concentration (IC50) 354700 nM
DBTRG-05MG cells
Anaplastic astrocytoma
CVCL_1169 
[9]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 35700 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[28]
Half Maximal Inhibitory Concentration (IC50) 36400 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[29]
Half Maximal Inhibitory Concentration (IC50) 36400 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[30]
Half Maximal Inhibitory Concentration (IC50) 366000 nM
A-431 cells
Skin squamous cell carcinoma
CVCL_0037 
[31]
Half Maximal Inhibitory Concentration (IC50) 368000 nM
A2780 cells
Ovarian endometrioid adenocarcinoma
CVCL_0134 
[16]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 369000 nM
U-373MG ATCC cells
Astrocytoma
CVCL_2219 
[28]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 375000 nM
T98G cells
Glioblastoma
CVCL_0556 
[32]
Half Maximal Inhibitory Concentration (IC50) 390000 nM
LN-18 cells
Glioblastoma
CVCL_0392 
[7]
Half Maximal Inhibitory Concentration (IC50) 393000 nM
SH-SY5Y cells
Bone marrow neuroblastoma
CVCL_0019 
[24]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 395000 nM
U-373MG ATCC cells
Astrocytoma
CVCL_2219 
[5]
Half Maximal Inhibitory Concentration (IC50) >40000 nM
A-172 cells
Glioblastoma
CVCL_0131 
[4]
Half Maximal Inhibitory Concentration (IC50) 430600 nM
CTX TNA2 cells
Normal
CVCL_3670 
[9]
Half Maximal Inhibitory Concentration (IC50) 4340 nM
HCT 116 cells
Colon carcinoma
CVCL_0291 
[33]
Half Maximal Inhibitory Concentration (IC50) 455000 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[34]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 45600 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[5]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 470000 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[28]
Half Maximal Inhibitory Concentration (IC50) 486900 nM
CTX TNA2 cells
Normal
CVCL_3670 
[9]
Half Maximal Inhibitory Concentration (IC50) 49000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[7]
Half Maximal Inhibitory Concentration (IC50) 5000 nM
TLX-5 cells
Lymphoma
CVCL_N032 
[15]
Half Maximal Cell Growth Inhibitory Concentration (GI50) >50000 nM
HeLa cells
Endocervical adenocarcinoma
CVCL_0030 
[35]
Half Maximal Inhibitory Concentration (IC50) >50000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[36]
Half Maximal Inhibitory Concentration (IC50) >50000 nM
SH-SY5Y cells
Bone marrow neuroblastoma
CVCL_0019 
[36]
Half Maximal Effective Concentration (EC50) >50000 nM
BT142 cells
Oligoastrocytoma
CVCL_D718 
[37]
Half Maximal Cell Growth Inhibitory Concentration (GI50) >500000 nM
DLD-1 cells
Colon adenocarcinoma
CVCL_0248 
[5]
Half Maximal Cell Growth Inhibitory Concentration (GI50) >500000 nM
HCT 116 cells
Colon carcinoma
CVCL_0291 
[5]
Half Maximal Inhibitory Concentration (IC50) 512620 nM
SH-SY5Y cells
Bone marrow neuroblastoma
CVCL_0019 
[24]
Half Maximal Inhibitory Concentration (IC50) 525000 nM
A2780 cells
Ovarian endometrioid adenocarcinoma
CVCL_0134 
[16]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 526000 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[5]
Half Maximal Inhibitory Concentration (IC50) 570000 nM
T98G cells
Glioblastoma
CVCL_0556 
[7]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 58748.94 nM
SK-OV-3 cells (FZD7 overexpression)
Ovarian serous cystadenocarcinoma
CVCL_0532 
[1]
Half Maximal Inhibitory Concentration (IC50) 595000 nM
LoVo cells
Colon adenocarcinoma
CVCL_0399 
[38]
Half Maximal Effective Concentration (EC50) 60460 nM
C6 cells
Glioma
CVCL_0194 
[19]
Half Maximal Inhibitory Concentration (IC50) 60460 nM
C6 cells
Glioma
CVCL_0194 
[20]
Half Maximal Inhibitory Concentration (IC50) 640000 nM
U-87MG ATCC cells
Glioblastoma
CVCL_0022 
[10]
Half Maximal Inhibitory Concentration (IC50) 6426 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[12]
Half Maximal Inhibitory Concentration (IC50) 65000 nM
A-172 cells
Glioblastoma
CVCL_0131 
[7]
Half Maximal Inhibitory Concentration (IC50) 666400 nM
CTX TNA2 cells
Normal
CVCL_3670 
[9]
Half Maximal Inhibitory Concentration (IC50) 67810 nM
LN-229 cells
Glioblastoma
CVCL_0393 
[39]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 68000 nM
U-373MG ATCC cells
Astrocytoma
CVCL_2219 
[28]
Half Maximal Inhibitory Concentration (IC50) 69870 nM
SNB-19 cells
Astrocytoma
CVCL_0535 
[39]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 70957.78 nM
SNB-75 cells
Glioblastoma
CVCL_1706 
[1]
Half Maximal Inhibitory Concentration (IC50) 7284 nM
U-251MG cells
Astrocytoma
CVCL_0021 
[12]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 72900 nM
U-373MG ATCC cells
Astrocytoma
CVCL_2219 
[5]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 73960.53 nM
UO-31 cells
Renal carcinoma
CVCL_1911 
[1]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
B16-F10 cells
Mouse melanoma
CVCL_0159 
[40]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
B16-F10 cells
Mouse melanoma
CVCL_0159 
[41]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
A375 cells
Amelanotic melanoma
CVCL_0132 
[41]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
HaCaT cells
Normal
CVCL_0038 
[41]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
MNT-1 cells
Melanoma
CVCL_5624 
[41]
Half Maximal Inhibitory Concentration (IC50) >75000 nM
MNT-1 cells
Melanoma
CVCL_5624 
[40]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 75857.76 nM
K-562 cells
Chronic myelogenous leukemia
CVCL_0004 
[1]
Half Maximal Inhibitory Concentration (IC50) 7600 nM
GM892A cells
Normal
CVCL_H136 
[15]
Half Maximal Inhibitory Concentration (IC50) 775000 nM
MDCK cells
Normal
CVCL_0422 
[8]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 78342.96 nM
CCRF-CEM cells
T acute lymphoblastic leukemia
CVCL_0207 
[1]
Half Maximal Inhibitory Concentration (IC50) 79000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 800000 nM
MCF7-F (fulvestrant resistant) cells
Invasive breast carcinoma
CVCL_0031 
[42]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 82035.15 nM
LOX IMVI cells
Melanoma
CVCL_1381 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 83560.3 nM
MOLT-4 cells
Adult T acute lymphoblastic leukemia
CVCL_0013 
[1]
Half Maximal Cell Growth Inhibitory Concentration (GI50) 85506.67 nM
HL-60 cells
Adult acute myeloid leukemia
CVCL_0002 
[1]
Half Maximal Inhibitory Concentration (IC50) 879000 nM
T98G cells
Glioblastoma
CVCL_0556 
[22]
Half Maximal Inhibitory Concentration (IC50) 91000 nM
Carcinoma cells
Carcinoma
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 93000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 951000 nM
HT-29 cells
Colon adenocarcinoma
CVCL_0320 
[27]
Half Maximal Inhibitory Concentration (IC50) 956000 nM
Hs 683 cells
Glioma
CVCL_0844 
[22]
Half Maximal Inhibitory Concentration (IC50) 962500 nM
RG2 cells
Glioma
CVCL_3581 
[9]
Half Maximal Inhibitory Concentration (IC50) 973900 nM
DBTRG-05MG cells
Anaplastic astrocytoma
CVCL_1169 
[9]
Half Maximal Inhibitory Concentration (IC50) 98000 nM
NCI cells
Normal
Undisclosed [2]
Half Maximal Inhibitory Concentration (IC50) 98000 nM
NCI cells
Normal
Undisclosed [2]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 PubChem BioAssay data set.
Ref 2 Synthesis and antitumor activity of methyltriazene prodrugs simultaneously releasing DNA-methylating agents and the antiresistance drug O(6)-benzylguanine. J Med Chem. 2004 Dec 30;47(27):6875-83. doi: 10.1021/jm049556d.
Ref 3 Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. J Nat Prod. 2015 Dec 24;78(12):3058-66. doi: 10.1021/acs.jnatprod.5b00969. Epub 2015 Dec 14.
Ref 4 Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene. Eur J Med Chem. 2021 Dec 5;225:113811. doi: 10.1016/j.ejmech.2021.113811. Epub 2021 Aug 31.
Ref 5 Antitumor imidazo[5,1-d]-1,2,3,5-tetrazines: compounds modified at the 3-position overcome resistance in human glioblastoma cell lines. Medchemcomm. 2016;7(12):2332-2343.
Ref 6 Targeting gliomas with triazene-based hybrids: Structure-activity relationship, mechanistic study and stability. Eur J Med Chem. 2019 Jun 15;172:16-25. doi: 10.1016/j.ejmech.2019.03.048. Epub 2019 Mar 22.
Ref 7 New substituted 4H-chromenes as anticancer agents. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4458-61. doi: 10.1016/j.bmcl.2012.04.074. Epub 2012 Apr 24.
Ref 8 New approach of delivering cytotoxic drugs towards CAIX expressing cells: A concept of dual-target drugs. Eur J Med Chem. 2017 Feb 15;127:691-702. doi: 10.1016/j.ejmech.2016.10.037. Epub 2016 Oct 19.
Ref 9 Cedrol, a Sesquiterpene Alcohol, Enhances the Anticancer Efficacy of Temozolomide in Attenuating Drug Resistance via Regulation of the DNA Damage Response and MGMT Expression. J Nat Prod. 2020 Oct 23;83(10):3021-3029. doi: 10.1021/acs.jnatprod.0c00580. Epub 2020 Sep 22.
Ref 10 Boholamide A, an APD-Class, Hypoxia-Selective Cyclodepsipeptide. J Nat Prod. 2020 Apr 24;83(4):1249-1257. doi: 10.1021/acs.jnatprod.0c00038. Epub 2020 Mar 18.
Ref 11 Novel PARP-1 inhibitors based on a 2-propanoyl-3H-quinazolin-4-one scaffold. Bioorg Med Chem Lett. 2014 Jan 15;24(2):462-6. doi: 10.1016/j.bmcl.2013.12.048. Epub 2013 Dec 18.
Ref 12 Enhanced pyrazolopyrimidinones cytotoxicity against glioblastoma cells activated by ROS-Generating cold atmospheric plasma. Eur J Med Chem. 2021 Nov 15;224:113736. doi: 10.1016/j.ejmech.2021.113736. Epub 2021 Aug 2.
Ref 13 Synthesis of pyrimidinopyridine-triazene conjugates targeted to abl tyrosine kinase. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3297-300. doi: 10.1016/s0960-894x(03)00553-5.
Ref 14 Synthesis and antiproliferative activity of 3-(2-chloroethyl)-5-methyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4-(3H)-one. Eur J Med Chem. 2015;96:98-104. doi: 10.1016/j.ejmech.2015.04.004. Epub 2015 Apr 6.
Ref 15 Antitumor imidazotetrazines. 32. Synthesis of novel imidazotetrazinones and related bicyclic heterocycles to probe the mode of action of the antitumor drug temozolomide. J Med Chem. 1995 Apr 28;38(9):1493-504. doi: 10.1021/jm00009a010.
Ref 16 Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. J Med Chem. 2000 Nov 2;43(22):4084-97. doi: 10.1021/jm000950v.
Ref 17 Discovery of mitochondria-targeting berberine derivatives as the inhibitors of proliferation, invasion and migration against rat C6 and human U87 glioma cells. Medchemcomm. 2015;6(1):164-173.
Ref 18 Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity.
Ref 19 Efficient identification of novel anti-glioma lead compounds by machine learning models. Eur J Med Chem. 2020 Mar 1;189:111981. doi: 10.1016/j.ejmech.2019.111981. Epub 2019 Dec 19.
Ref 20 Bioactive triterpenoid saponins and phenolic compounds against glioma cells. Bioorg Med Chem Lett. 2014 Nov 15;24(22):5157-63. doi: 10.1016/j.bmcl.2014.09.087. Epub 2014 Oct 5.
Ref 21 Non-alkylator anti-glioblastoma agents induced cell cycle G2/M arrest and apoptosis: Design, in silico physicochemical and SAR studies of 2-aminoquinoline-3-carboxamides. Bioorg Med Chem Lett. 2021 Nov 1;51:128371. doi: 10.1016/j.bmcl.2021.128371. Epub 2021 Sep 15.
Ref 22 N-Aryl-N'-(chroman-4-yl)ureas and thioureas display in vitro anticancer activity and selectivity on apoptosis-resistant glioblastoma cells: screening, synthesis of simplified derivatives, and structure-activity relationship analysis. Eur J Med Chem. 2012 Aug;54:834-44. doi: 10.1016/j.ejmech.2012.06.050. Epub 2012 Jul 4.
Ref 23 Selective cytotoxicity and apoptosis induction in glioma cell lines by 5-oxygenated-6,7-methylenedioxycoumarins from Pterocaulon species. Eur J Med Chem. 2012 Nov;57:268-74. doi: 10.1016/j.ejmech.2012.09.007. Epub 2012 Sep 12.
Ref 24 Cyclotides Chemosensitize Glioblastoma Cells to Temozolomide. J Nat Prod. 2022 Jan 28;85(1):34-46. doi: 10.1021/acs.jnatprod.1c00595. Epub 2022 Jan 19.
Ref 25 Synthesis and structure-activity relationships of 2-amino-1-aroylnaphthalene and 2-hydroxy-1-aroylnaphthalenes as potent antitubulin agents. J Med Chem. 2008 Dec 25;51(24):8163-7. doi: 10.1021/jm8008635.
Ref 26 Novel piperazine based benzamide derivatives as potential anti-glioblastoma agents inhibiting cell proliferation and cell cycle progression. Eur J Med Chem. 2022 Jan 5;227:113908. doi: 10.1016/j.ejmech.2021.113908. Epub 2021 Oct 8.
Ref 27 Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)guanines and potentiation of temozolomide cytotoxicity in vitro by O(6)-(1-cyclopentenylmethyl)guanine. J Med Chem. 2000 Nov 2;43(22):4071-83. doi: 10.1021/jm000961o.
Ref 28 Synthesis and growth-inhibitory activities of imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position. Medchemcomm. 2018 Jan 19;9(3):545-553. doi: 10.1039/c7md00554g. eCollection 2018 Mar 1.
Ref 29 Antcamphorols A-K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata. J Nat Prod. 2020 Jan 24;83(1):45-54. doi: 10.1021/acs.jnatprod.9b00580. Epub 2019 Dec 31.
Ref 30 Chemical modifications of ergostane-type triterpenoids from Antrodia camphorata and their cytotoxic activities. Bioorg Med Chem Lett. 2021 Jul 1;43:128066. doi: 10.1016/j.bmcl.2021.128066. Epub 2021 Apr 26.
Ref 31 Designing multi-targeted agents: An emerging anticancer drug discovery paradigm. Eur J Med Chem. 2017 Aug 18;136:195-211. doi: 10.1016/j.ejmech.2017.05.016. Epub 2017 May 5.
Ref 32 Acridine-O(6)-benzylguanine hybrids: Synthesis, DNA binding, MGMT inhibition and antiproliferative activity. Eur J Med Chem. 2022 Jan 5;227:113909. doi: 10.1016/j.ejmech.2021.113909. Epub 2021 Oct 9.
Ref 33 Synthesis of isoquinolinone-based tetracycles as poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors. Bioorg Med Chem. 2009 Nov 1;17(21):7537-41. doi: 10.1016/j.bmc.2009.09.014. Epub 2009 Sep 15.
Ref 34 Chemical modifications of imidazole-containing alkoxyamines increase C-ON bond homolysis rate: Effects on their cytotoxic properties in glioblastoma cells. Bioorg Med Chem. 2019 May 15;27(10):1942-1951. doi: 10.1016/j.bmc.2019.03.029. Epub 2019 Mar 18.
Ref 35 New benzothieno[3,2-d]-1,2,3-triazines with antiproliferative activity: synthesis, spectroscopic studies, and biological activity. Bioorg Med Chem Lett. 2014 Aug 1;24(15):3291-7. doi: 10.1016/j.bmcl.2014.06.007. Epub 2014 Jun 17.
Ref 36 Design, synthesis and biological evaluation of artemisinin derivatives containing fluorine atoms as anticancer agents. Bioorg Med Chem Lett. 2018 Jul 15;28(13):2275-2278. doi: 10.1016/j.bmcl.2018.05.035. Epub 2018 May 17.
Ref 37 Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and selective antitumor activity. J Med Chem. 2014 Oct 23;57(20):8307-18. doi: 10.1021/jm500660f. Epub 2014 Oct 1.
Ref 38 Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. J Med Chem. 2002 Nov 7;45(23):4961-74. doi: 10.1021/jm020259n.
Ref 39 Synthesis and Preclinical Validation of Novel Indole Derivatives as a GPR17 Agonist for Glioblastoma Treatment. J Med Chem. 2021 Aug 12;64(15):10908-10918. doi: 10.1021/acs.jmedchem.1c00277. Epub 2021 Jul 25.
Ref 40 The selective cytotoxicity of new triazene compounds to human melanoma cells. Bioorg Med Chem. 2017 Aug 1;25(15):3900-3910. doi: 10.1016/j.bmc.2017.04.049. Epub 2017 May 31.
Ref 41 Sulfur Analogues of Tyrosine in the Development of Triazene Hybrid Compounds: A New Strategy against Melanoma. ACS Med Chem Lett. 2021 Sep 2;12(11):1669-1677. doi: 10.1021/acsmedchemlett.1c00252. eCollection 2021 Nov 11.
Ref 42 Design and synthesis of a novel water soluble benzotetrazepinone. Bioorg Med Chem Lett. 2000 Oct 16;10(20):2325-7. doi: 10.1016/s0960-894x(00)00461-3.

If you find any error in data or bug in web service, please kindly report it to Dr. Shen et al.