Payload Information

General Information of This Payload

Payload ID	PAY0ZAWKE
Name	Triptolide
Synonyms	Triptolide; 38748-32-2; Triptolid; PG490; NSC 163062; NSC-163062; UNII-19ALD1S53J; 19ALD1S53J; CHEBI:9747; CHEMBL463763; C20H24O6; PG-490; (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-Hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one; (6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one.; SMR000466307; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; NSC163062; Triptolide, 1; (3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-8B-METHYL-6A-(1-METHYLETHYL)TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one; Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; MFCD00210565; CPD000466307; TRIPTOLIDE [MI]; D0I6LH; TRIPTOLIDE [WHO-DD]; BSPBio_001595; KBioGR_000315; KBioSS_000315; MLS000759410; MLS001424107; MLS006010844; SCHEMBL413634; DTXSID5041144; EX-A7744A; KBio2_000315; KBio2_002883; KBio2_005451; KBio3_000629; KBio3_000630; DFBIRQPKNDILPW-CIVMWXNOSA-N; Bio2_000315; Bio2_000795; HMS1361P17; HMS1791P17; HMS1989P17; HMS2051N13; HMS3402P17; 144539-79-7; TPL; BDBM50241049; NSC839303; s3604; AKOS022168197; AM84923; CCG-100957; CS-0286; DB12025; NC00207; NSC-839303; IDI1_034065; NCGC00163411-01; NCGC00163411-02; NCGC00163411-03; NCGC00163411-07; BP-25386; BS-16697; HY-32735; NCI60_001223; LS-157717; T2899; C09204; AB00639938-06; AB00639938-08; Q906351; Q-100450; BRD-K39484304-001-02-5; BRD-K39484304-001-06-6; BRD-K39484304-001-16-5; Triptolide, Tripterygium wilfordii - CAS 38748-32-2; (1S,2S,4S,5S,7R,8R,9S,11S)-8-Hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-ISOPROPYL-8B-METHYLTRISOXIRENO(6,7:8A,9:4B,5)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS,8b.beta.)]-; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS,8b.beta.)]- Click to Show/Hide
Target(s)	Nuclear factor NF-kappa-B p105 subunit (NFKB1)			Target Info
Structure
Structure	3D MOL		2D MOL
Formula	C20H24O6
Isosmiles	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
PubChem CID	107985
InChI	InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey	DFBIRQPKNDILPW-CIVMWXNOSA-N
IUPAC Name	(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
Pharmaceutical Properties	Molecule Weight	360.4	Polar area	84.1
	Complexity	819	xlogp Value	0.2
	Heavy Count	26	Rot Bonds	1
	Hbond acc	6	Hbond Donor	1

The activity data of This Payload

Standard Type	Value	Units	Cell line	Disease Model	Cell line ID	Reference
Half Maximal Inhibitory Concentration (IC50)	0.0001	ug/mL	HT-29 cells	Colon adenocarcinoma	CVCL_0320	[1]
Half Maximal Inhibitory Concentration (IC50)	0.0013	ug/mL	A-549 cells	Lung adenocarcinoma	CVCL_0023	[1]
Half Maximal Inhibitory Concentration (IC50)	10	nM	MDA-MB-468 cells	Breast adenocarcinoma	CVCL_0419	[2]
Half Maximal Inhibitory Concentration (IC50)	10	nM	HCT 116 cells	Colon carcinoma	CVCL_0291	[2]
Half Maximal Inhibitory Concentration (IC50)	10	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[2]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	10.09	nM	SNB-75 cells	Glioblastoma	CVCL_1706	[3]
Half Maximal Inhibitory Concentration (IC50)	10.3	nM	KBM5 cells	Chronic myelogenous leukemia	CVCL_0373	[4]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	10.86	nM	BT-549 cells	Breast ductal carcinoma	CVCL_1092	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	10.96	nM	CCRF-CEM cells	T acute lymphoblastic leukemia	CVCL_0207	[3]
Half Maximal Inhibitory Concentration (IC50)	>10000	nM	A549/DDP cells	Lung adenocarcinoma	CVCL_C0W4	[5]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	103.51	nM	SNB-19 cells	Astrocytoma	CVCL_0535	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	11.19	nM	Malme-3M cells	Melanoma	CVCL_1438	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	11.35	nM	NCI-H322M cells	Minimally invasive lung adenocarcinoma	CVCL_1557	[3]
Half Maximal Inhibitory Concentration (IC50)	111	nM	NKM-1 cells	Acute myeloid leukemia	CVCL_1607
Half Maximal Cell Growth Inhibitory Concentration (GI50)	12.39	nM	UO-31 cells	Renal carcinoma	CVCL_1911	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	12.65	nM	UACC-257 cells	Melanoma	CVCL_1779	[3]
Half Maximal Inhibitory Concentration (IC50)	1200	nM	MDCK cells	Normal	CVCL_0422	[6]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	13.55	nM	M14 cells	Melanoma	CVCL_1395	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	13.96	nM	HCT 15 cells	Colon adenocarcinoma	CVCL_0292	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	13.96	nM	TK-10 cells	Renal carcinoma	CVCL_1773	[3]
Half Maximal Inhibitory Concentration (IC50)	14	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[7]
Half Maximal Inhibitory Concentration (IC50)	14	nM	Hep-G2 cells	Hepatoblastoma	CVCL_0027	[8]
Half Maximal Inhibitory Concentration (IC50)	14	nM	NCI-H460 cells	Lung large cell carcinoma	CVCL_0459	[9]
Half Maximal Inhibitory Concentration (IC50)	14	nM	SJRH30 cells	Alveolar rhabdomyosarcoma	CVCL_0041	[2]
Half Maximal Inhibitory Concentration (IC50)	14	nM	RAW264.7 cells	Monocytic-macrophage leukemia	CVCL_0493	[8]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	14.09	nM	SW620 cells	Colon adenocarcinoma	CVCL_0547	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	14.49	nM	MDA-MB-231 cells (5T4 overexpression)	Breast adenocarcinoma	CVCL_0062	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	14.96	nM	Hs 578T cells	Invasive breast carcinoma	CVCL_0332	[3]
Half Maximal Inhibitory Concentration (IC50)	140	nM	Jurkat cells	T acute lymphoblastic leukemia	CVCL_0065	[6]
Half Maximal Inhibitory Concentration (IC50)	15	nM	SGC-7901 cells	Gastric carcinoma	CVCL_0520	[2]
Half Maximal Inhibitory Concentration (IC50)	15	nM	NCI-H1650 cells	Lung adenocarcinoma	CVCL_1483	[8]
Half Maximal Inhibitory Concentration (IC50)	16	nM	L02 cells	Cervical carcinoma	CVCL_6926	[9]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	16.94	nM	786-O cells	Renal cell carcinoma	CVCL_1051	[3]
Half Maximal Inhibitory Concentration (IC50)	163	nM	SW620 cells	Colon adenocarcinoma	CVCL_0547	[9]
Half Maximal Inhibitory Concentration (IC50)	17	nM	MOLT-4 cells	Adult T acute lymphoblastic leukemia	CVCL_0013	[2]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	17.02	nM	K-562 cells	Chronic myelogenous leukemia	CVCL_0004	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	17.34	nM	SR cells	Leukemia	CVCL_1711	[3]
Half Maximal Inhibitory Concentration (IC50)	17.5	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[10]
Half Maximal Inhibitory Concentration (IC50)	18	nM	SMMC-7721 cells	Hepatocellular carcinoma	CVCL_0534	[2]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	18.03	nM	A498 cells	Renal carcinoma	CVCL_1056	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	18.11	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	18.28	nM	HCC 2998 cells	Colon adenocarcinoma	CVCL_1266	[3]
Half Maximal Inhibitory Concentration (IC50)	18.3	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[10]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	18.71	nM	T-47D cells	Invasive breast carcinoma	CVCL_0553	[3]
Half Maximal Inhibitory Concentration (IC50)	19	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[11]
Half Maximal Inhibitory Concentration (IC50)	19	nM	NCI-H1975 cells	Lung adenocarcinoma	CVCL_1511	[5]
Half Maximal Inhibitory Concentration (IC50)	19	nM	MCF7-F (fulvestrant resistant) cells	Invasive breast carcinoma	CVCL_0031	[2]
Half Maximal Inhibitory Concentration (IC50)	2	nM	NCI-H1975 cells	Lung adenocarcinoma	CVCL_1511	[9]
Half Maximal Inhibitory Concentration (IC50)	2	nM	BGC-823 cells	Stomach adenocarcinoma	CVCL_3360	[8]
Half Maximal Inhibitory Concentration (IC50)	2.1	nM	HT-29 cells	Colon adenocarcinoma	CVCL_0320	[11]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	2.582	nM	HCT 116 cells	Colon carcinoma	CVCL_0291	[3]
Half Maximal Inhibitory Concentration (IC50)	20	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[2]
Half Maximal Inhibitory Concentration (IC50)	20	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[12]
Half Maximal Inhibitory Concentration (IC50)	20	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[13]
Half Maximal Inhibitory Concentration (IC50)	20	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[14]
Half Maximal Inhibitory Concentration (IC50)	20	nM	Bel-7402 cells	Hepatoma	CVCL_5492	[2]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	20.14	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[3]
Half Maximal Inhibitory Concentration (IC50)	20.3	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[15]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	20.32	nM	OVCAR-8 cells	High grade ovarian serous adenocarcinoma	CVCL_1629	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	20.99	nM	EKVX cells	Non-small cell lung carcinoma	CVCL_1195	[3]
Half Maximal Inhibitory Concentration (IC50)	200	nM	PANC-1 cells	Pancreatic ductal adenocarcinoma	CVCL_0480	[16]
Half Maximal Inhibitory Concentration (IC50)	200	nM	MKN-28 cells	Gastric epithelial carcinoma	CVCL_1416	[2]
Half Maximal Inhibitory Concentration (IC50)	21	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[5]
Half Maximal Inhibitory Concentration (IC50)	21	nM	L02 cells	Cervical carcinoma	CVCL_6926	[5]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	21.38	nM	OVCAR-5 cells	Ovarian serous adenocarcinoma	CVCL_1628	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	21.63	nM	NCI-H226 cells	Pleural epithelioid mesothelioma	CVCL_1544	[3]
Half Maximal Inhibitory Concentration (IC50)	22	nM	786-O cells	Renal cell carcinoma	CVCL_1051	[2]
Half Maximal Inhibitory Concentration (IC50)	22	nM	MCF7-F (fulvestrant resistant) cells	Invasive breast carcinoma	CVCL_0031	[5]
Half Maximal Inhibitory Concentration (IC50)	23	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[7]
Half Maximal Inhibitory Concentration (IC50)	23	nM	RAW264.7 cells	Monocytic-macrophage leukemia	CVCL_0493	[8]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	23.01	nM	HOP-92 cells	Non-small cell lung carcinoma	CVCL_1286	[3]
Half Maximal Inhibitory Concentration (IC50)	24	nM	DU145 cells	Prostate carcinoma	CVCL_0105	[2]
Half Maximal Inhibitory Concentration (IC50)	24	nM	MDA-MB-231 cells (5T4 overexpression)	Breast adenocarcinoma	CVCL_0062	[2]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	24.38	nM	DU145 cells	Prostate carcinoma	CVCL_0105	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	24.89	nM	SF268 cells	Astrocytoma	CVCL_1689	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	26.06	nM	NCI-ADR-RES cells	High grade ovarian serous adenocarcinoma	CVCL_1452	[3]
Half Maximal Inhibitory Concentration (IC50)	27	nM	HaCaT cells	Normal	CVCL_0038	[9]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	27.35	nM	KM12 cells	Colon adenocarcinoma	CVCL_1331	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	27.86	nM	SF-295 cells	Glioblastoma	CVCL_1690	[3]
Half Maximal Inhibitory Concentration (IC50)	28	nM	HO-8910 cells	Endocervical adenocarcinoma	CVCL_6868	[2]
Half Maximal Inhibitory Concentration (IC50)	29	nM	HCT 15 cells	Colon adenocarcinoma	CVCL_0292	[2]
Half Maximal Inhibitory Concentration (IC50)	3	nM	HCT 116 cells	Colon carcinoma	CVCL_0291	[8]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	3.221	nM	NCI-H23 cells	Lung adenocarcinoma	CVCL_1547	[3]
Half Maximal Inhibitory Concentration (IC50)	30	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[17]
Half Maximal Inhibitory Concentration (IC50)	30	nM	HBE1 cells	Normal	CVCL_0287	[5]
Half Maximal Inhibitory Concentration (IC50)	33	nM	U-251MG cells	Astrocytoma	CVCL_0021	[14]
Half Maximal Inhibitory Concentration (IC50)	33	nM	Hep-G2 cells	Hepatoblastoma	CVCL_0027	[5]
Half Maximal Inhibitory Concentration (IC50)	37.7	nM	Hepatocyte cells	Normal	Undisclosed	[18]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	4.207	nM	UACC-62 cells	Melanoma	CVCL_1780	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	4.266	nM	MCF7-F (fulvestrant resistant) cells	Invasive breast carcinoma	CVCL_0031	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	4.699	nM	RPMI-8226 cells	Plasma cell myeloma	CVCL_0014	[3]
Half Maximal Inhibitory Concentration (IC50)	4.7	nM	HCT 116 cells	Colon carcinoma	CVCL_0291	[6]
Half Maximal Inhibitory Concentration (IC50)	43	nM	PC-3 cells	Prostate carcinoma	CVCL_0035	[2]
Half Maximal Inhibitory Concentration (IC50)	43	nM	HeLa cells	Endocervical adenocarcinoma	CVCL_0030	[5]
Half Maximal Inhibitory Concentration (IC50)	43	nM	KB cells	Human papillomavirus-related endocervical adenocarcinoma	CVCL_0372	[2]
Half Maximal Inhibitory Concentration (IC50)	43.3	nM	Hep-G2 cells	Hepatoblastoma	CVCL_0027	[18]
Half Maximal Inhibitory Concentration (IC50)	44	nM	Human umbilical vein endothelial cells(HUVEC)	Normal	Undisclosed	[9]
Half Maximal Inhibitory Concentration (IC50)	46	nM	HCT 116 cells	Colon carcinoma	CVCL_0291	[9]
Half Maximal Inhibitory Concentration (IC50)	468	nM	Hep-G2 cells	Hepatoblastoma	CVCL_0027	[19]
Half Maximal Inhibitory Concentration (IC50)	47	nM	HeLa cells	Endocervical adenocarcinoma	CVCL_0030	[2]
Half Maximal Inhibitory Concentration (IC50)	47	nM	HT-29 cells	Colon adenocarcinoma	CVCL_0320	[9]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	47.42	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[3]
Half Maximal Inhibitory Concentration (IC50)	49	nM	U-251MG cells	Astrocytoma	CVCL_0021	[2]
Half Maximal Inhibitory Concentration (IC50)	49	nM	NCI-H1299 cells (MMAE resistant)	Lung large cell carcinoma	CVCL_0060	[5]
Half Maximal Inhibitory Concentration (IC50)	5	nM	B16-F10 cells	Mouse melanoma	CVCL_0159	[8]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	5.14	nM	LOX IMVI cells	Melanoma	CVCL_1381	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	5.272	nM	NCI-H460 cells	Lung large cell carcinoma	CVCL_0459	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	5.861	nM	OVCAR-3 cells (FZD7 overexpression)	Ovarian serous adenocarcinoma	CVCL_0465	[3]
Half Maximal Inhibitory Concentration (IC50)	50	nM	K-562 cells	Chronic myelogenous leukemia	CVCL_0004	[2]
Half Maximal Inhibitory Concentration (IC50)	50	nM	NIH3T3 cells	Normal	CVCL_0594	[6]
Half Maximal Inhibitory Concentration (IC50)	51	nM	MDA-MB-231 cells (5T4 overexpression)	Breast adenocarcinoma	CVCL_0062	[9]
Half Maximal Inhibitory Concentration (IC50)	52	nM	SW1116 cells	Colon adenocarcinoma	CVCL_0544	[2]
Half Maximal Inhibitory Concentration (IC50)	56	nM	PANC-1 cells	Pancreatic ductal adenocarcinoma	CVCL_0480	[5]
Half Maximal Inhibitory Concentration (IC50)	59	nM	A-549 cells	Lung adenocarcinoma	CVCL_0023	[2]
Half Maximal Inhibitory Concentration (IC50)	6	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[12]
Half Maximal Inhibitory Concentration (IC50)	6	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[13]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.026	nM	Caki-1 cells	Clear cell renal cell carcinoma	CVCL_0234	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.368	nM	SK-MEL-28 cells (BRAF inhibitor resistant)	Cutaneous melanoma	CVCL_0526	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.427	nM	SK-MEL-2 cells (MEK inhibitor-resistant)	Melanoma	CVCL_0069	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.668	nM	HL-60 cells	Adult acute myeloid leukemia	CVCL_0002	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.792	nM	ACHN cells	Renal adenocarcinoma	CVCL_1067	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.934	nM	MDA-MB-435 cells	Amelanotic melanoma	CVCL_0417	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	6.966	nM	SK-MEL-5 cells	Cutaneous melanoma	CVCL_0527	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	60.95	nM	U-251MG cells	Astrocytoma	CVCL_0021	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.015	nM	HOP-62 cells	Non-small cell lung carcinoma	CVCL_1285	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.129	nM	IGROV-1 cells	Ovarian endometrioid adenocarcinoma	CVCL_1304	[3]
Half Maximal Inhibitory Concentration (IC50)	7.2	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[10]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.447	nM	SF539 cells	Gliosarcoma	CVCL_1691	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.586	nM	MDA-N cells	Breast carcinoma	CVCL_1910	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.638	nM	MOLT-4 cells	Adult T acute lymphoblastic leukemia	CVCL_0013	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.762	nM	COLO 205 cells	Colon adenocarcinoma	CVCL_0218	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.87	nM	RXF 393 cells	Renal carcinoma	CVCL_1673	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	7.925	nM	OVCAR-4 cells	Ovarian adenocarcinoma	CVCL_1627	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	8.299	nM	HT-29 cells	Colon adenocarcinoma	CVCL_0320	[3]
Half Maximal Inhibitory Concentration (IC50)	8.3	nM	KBM5 cells	Chronic myelogenous leukemia	CVCL_0373	[4]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	8.61	nM	SN12C cells	Renal cell carcinoma	CVCL_1705	[3]
Half Maximal Cell Growth Inhibitory Concentration (GI50)	8.81	nM	NCI-H522 cells	Non-small cell lung carcinoma	CVCL_1567	[3]
Half Maximal Inhibitory Concentration (IC50)	87	nM	HeLa cells	Endocervical adenocarcinoma	CVCL_0030	[6]
Half Maximal Inhibitory Concentration (IC50)	9	nM	SK-OV-3 cells (FZD7 overexpression)	Ovarian serous cystadenocarcinoma	CVCL_0532	[2]
Half Maximal Inhibitory Concentration (IC50)	9.7	nM	LNCaP cells	Prostate carcinoma	CVCL_0395	[15]
Half Maximal Inhibitory Concentration (IC50)	9200	nM	Embryonic fibroblast MEF cells	Normal	Undisclosed	[4]

Each Antibody-drug Conjugate Related to This Payload

Full Information of The Activity Data of The ADC(s) Related to This Payload

Cet-TPL [Investigative]

ADC Info

Discovered Using Patient-derived Xenograft Model

Click To Hide/Show 2 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC				[20]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 72.17% (Day 13)	Positive EGFR expression (EGFR +++/++)
Method Description	When subcutaneous xenograft tumors reached 1.5 cm³, they were serially passaged in NSG mice by subcutaneous transplant (0.10-0.12 g, 2x2 mm) under general anesthesia. Mouse treatment was performed by intraperitoneal injection of vehicle (PBS), 50 mg/kg Cet-TPL in <300 uL PBS twice/week for about 2-3 weeks.
In Vivo Model	Lung adenocarcinoma PDX model (PDX: PDX1)
Experiment 2 Reporting the Activity Date of This ADC				[20]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 91.89% (Day 15)	Positive EGFR expression (EGFR +++/++)
Method Description	When subcutaneous xenograft tumors reached 1.5 cm³, they were serially passaged in NSG mice by subcutaneous transplant (0.10-0.12 g, 2x2 mm) under general anesthesia. Mouse treatment was performed by intraperitoneal injection of vehicle (PBS), 50 mg/kg Cet-TPL in <300 uL PBS twice/week for about 2-3 weeks.
In Vivo Model	Lung adenocarcinoma PDX model (PDX: PDX1)

Discovered Using Cell Line-derived Xenograft Model

Click To Hide/Show 3 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 12.39% (Day 15)	Negative EGFR expression (EGFR -)
Method Description	When subcutaneous xenograft tumors reached 1.5 cm³, they were serially passaged in NSG mice by subcutaneous transplant (0.10-0.12 g, 2x2 mm) under general anesthesia. Mouse treatment was performed by intraperitoneal injection of vehicle (PBS), 50 mg/kg Cet-TPL in <300 uL PBS twice/week for about 2-3 weeks.
In Vivo Model	H520 CDX model
In Vitro Model	Lung squamous cell carcinoma	NCI-H520 cells		CVCL_1566
Experiment 2 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 64.00% (Day 18)	Positive EGFR expression (EGFR +++/++)
Method Description	When subcutaneous xenograft tumors reached 1.5 cm³, they were serially passaged in NSG mice by subcutaneous transplant (0.10-0.12 g, 2x2 mm) under general anesthesia. Mouse treatment was performed by intraperitoneal injection of vehicle (PBS), 50 mg/kg Cet-TPL in <300 uL PBS twice/week for about 2-3 weeks.
In Vivo Model	A549 CDX model
In Vitro Model	Lung adenocarcinoma	A-549 cells		CVCL_0023
Experiment 3 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 93.80% (Day 24)	Positive EGFR expression (EGFR +++/++)
Method Description	When subcutaneous xenograft tumors reached 1.5 cm³, they were serially passaged in NSG mice by subcutaneous transplant (0.10-0.12 g, 2x2 mm) under general anesthesia. Mouse treatment was performed by intraperitoneal injection of vehicle (PBS), 50 mg/kg Cet-TPL in <300 uL PBS twice/week for about 2-3 weeks.
In Vivo Model	SCC6 CDX model
In Vitro Model	Squamous cell carcinoma	UM-SCC-6 cells		CVCL_7773

Revealed Based on the Cell Line Data

Click To Hide/Show 4 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	6.25 ug/mL - 12.5 ug/mL	Positive EGFR expression (EGFR +++/++)
Method Description	For proliferation assay, cells were seeded in 96-well plates in four to six replicates at densities of 2000 cells per well; after 24 h, 3.125-100 ug/mL IgG, Cet, and Cet-TPL were added to wells, respectively, and further incubated with cells for 72 h.
In Vitro Model	Squamous cell carcinoma	UM-SCC-6 cells		CVCL_7773
Experiment 2 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	12.50 ug/mL	Positive EGFR expression (EGFR +++/++)
Method Description	For proliferation assay, cells were seeded in 96-well plates in four to six replicates at densities of 2000 cells per well; after 24 h, 3.125-100 ug/mL IgG, Cet, and Cet-TPL were added to wells, respectively, and further incubated with cells for 72 h.
In Vitro Model	Lung adenocarcinoma	A-549 cells		CVCL_0023
Experiment 3 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	12.50 ug/mL	Positive EGFR expression (EGFR +++/++)
Method Description	For proliferation assay, cells were seeded in 96-well plates in four to six replicates at densities of 2000 cells per well; after 24 h, 3.125-100 ug/mL IgG, Cet, and Cet-TPL were added to wells, respectively, and further incubated with cells for 72 h.
In Vitro Model	Lung large cell carcinoma	NCI-H1299 cells		CVCL_0060
Experiment 4 Reporting the Activity Date of This ADC					[20]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	> 100.00 ug/mL	Negative EGFR expression (EGFR -)
Method Description	For proliferation assay, cells were seeded in 96-well plates in four to six replicates at densities of 2000 cells per well; after 24 h, 3.125-100 ug/mL IgG, Cet, and Cet-TPL were added to wells, respectively, and further incubated with cells for 72 h.
In Vitro Model	Lung squamous cell carcinoma	NCI-H520 cells		CVCL_1566

Y-TR1 SMCC [Investigative]

ADC Info

Revealed Based on the Cell Line Data

Click To Hide/Show 1 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[21]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	15.00 ug/mL	Positive CD26 expression (CD26+++/++)
Method Description	Viability assay of Jurkat cells incubated for 72 h with ADC.
In Vitro Model	T acute lymphoblastic leukemia	Jurkat cells		CVCL_0065

Y-TR1 GMBS [Investigative]

ADC Info

Revealed Based on the Cell Line Data

Click To Hide/Show 1 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[21]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	18.00 ug/mL	Positive CD26 expression (CD26+++/++)
Method Description	Viability assay of Jurkat cells incubated for 72 h with ADC.
In Vitro Model	T acute lymphoblastic leukemia	Jurkat cells		CVCL_0065

Y-TR1 SPDP [Investigative]

ADC Info

Revealed Based on the Cell Line Data

Click To Hide/Show 1 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[21]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	35.00 ug/mL	Positive CD26 expression (CD26+++/++)
Method Description	Viability assay of Jurkat cells incubated for 72 h with ADC.
In Vitro Model	T acute lymphoblastic leukemia	Jurkat cells		CVCL_0065

References

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Ref 9	Design, synthesis of novel triptolide-glucose conjugates targeting glucose Transporter-1 and their selective antitumor effect. Eur J Med Chem. 2022 Aug 5;238:114463. doi: 10.1016/j.ejmech.2022.114463. Epub 2022 May 17.
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Ref 11	Semisynthesis of triptolide analogues: effect of -lactone and C-14 substituents on cytotoxic activities. Bioorg Med Chem Lett. 2011 May 15;21(10):3046-9. doi: 10.1016/j.bmcl.2011.03.025. Epub 2011 Mar 16.
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Ref 13	Design, synthesis and anticancer activity evaluation of novel C14 heterocycle substituted epi-triptolide. Eur J Med Chem. 2014 Feb 12;73:46-55. doi: 10.1016/j.ejmech.2013.11.044. Epub 2013 Dec 14.
Ref 14	Semisynthesis of triptolide analogues: effect of B-ring substituents on cytotoxic activities. Bioorg Med Chem Lett. 2014 Dec 15;24(24):5671-5674. doi: 10.1016/j.bmcl.2014.10.069. Epub 2014 Oct 29.
Ref 15	Small-molecule inhibitors targeting small ubiquitin-like modifier pathway for the treatment of cancers and other diseases. Eur J Med Chem. 2022 Apr 5;233:114227. doi: 10.1016/j.ejmech.2022.114227. Epub 2022 Feb 28.
Ref 16	Development of Potential Antitumor Agents from the Scaffolds of Plant-Derived Terpenoid Lactones. J Med Chem. 2020 Dec 24;63(24):15410-15448. doi: 10.1021/acs.jmedchem.0c01449. Epub 2020 Dec 8.
Ref 17	From bench (laboratory) to bed (hospital/home): How to explore effective natural and synthetic PAK1-blockers/longevity-promoters for cancer therapy. Eur J Med Chem. 2017 Dec 15;142:229-243. doi: 10.1016/j.ejmech.2017.07.043. Epub 2017 Aug 9.
Ref 18	NQO1-Selective Activated Prodrug of Triptolide: Synthesis and Antihepatocellular Carcinoma Activity Evaluation. ACS Med Chem Lett. 2018 Nov 27;9(12):1253-1257. doi: 10.1021/acsmedchemlett.8b00404. eCollection 2018 Dec 13.
Ref 19	Design and synthesis of cinnamic acid triptolide ester derivatives as potent antitumor agents and their biological evaluation. Bioorg Med Chem Lett. 2022 Jul 1;67:128760. doi: 10.1016/j.bmcl.2022.128760. Epub 2022 Apr 25.
Ref 20	Cetuximab-Triptolide Conjugate Suppresses the Growth of EGFR-Overexpressing Lung Cancers through Targeting RNA Polymerase II. Mol Ther Oncolytics. 2020 Jul 6;18:304-316. doi: 10.1016/j.omto.2020.07.001. eCollection 2020 Sep 25.
Ref 21	Novel Antibody-Drug Conjugate with Anti-CD26 Humanized Monoclonal Antibody and Transcription Factor IIH (TFIIH) Inhibitor, Triptolide, Inhibits Tumor Growth via Impairing mRNA Synthesis. Cancers (Basel). 2019 Aug 8;11(8):1138. doi: 10.3390/cancers11081138.

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Correspondence

Prof. Feng ZHU (zhufeng@zju.edu.cn)

Prof. Xiaowu DONG (dongxw@zju.edu.cn)

Prof. Luo FANG (fangluo@zjcc.org.cn)