Payload Information

General Information of This Payload
Payload ID
PAY0KZOEY
Name
L-Alanyl-L-tryptophan
Synonyms
L-Alanyl-L-tryptophan; 16305-75-2; Ala-Trp; L-Tryptophan, L-alanyl-; L-Alanyltryptophan; (S)-2-((S)-2-Aminopropanamido)-3-(1H-indol-3-yl)propanoic acid; alanyltryptophan; CHEMBL91792; N-L-Alanyl-L-tryptophan; CHEBI:73808; Alanyl tryptophan; Alanyl-Tryptophan; L-Ala-L-Trp; L-Ala-L-Trp-OH; L-Tryptophan, N-L-alanyl-; SCHEMBL2488765; DTXSID901314661; N-(2-Aminopropanoyl)tryptophan #; AW; Ala-Trp, >=99.0% (TLC); BDBM50188485; MFCD00037948; (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid; AKOS010367580; AKOS015853838; L-Alanyl-L-tryptophan (H-Ala-Trp-OH); AS-76405; A1262; T70375; A810437; J-009993; Q27144124; (S)-2-((S)-2-Aminopropanamido)-3-(1H-indol-3-yl)propanoicacid; (S)-2-((S)-2-Amino-propionylamino)-3-(1H-indol-3-yl)-propionic acid
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Target(s) Microtubule (MT)
 Target Info 
Structure
Formula
C14H17N3O3
Isosmiles
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
PubChem CID
85362
InChI
InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1
InChIKey
WUGMRIBZSVSJNP-UFBFGSQYSA-N
IUPAC Name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Pharmaceutical Properties
Molecule Weight
275.3
Polar area
108
Complexity
375
xlogp Value
-2.2
Heavy Count
20
Rot Bonds
5
Hbond acc
4
Hbond Donor
4
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 260000 nM
MDCK cells
Normal
CVCL_0422 
[1]
Half Maximal Inhibitory Concentration (IC50) 8000 nM
NCI-H460 cells
Lung large cell carcinoma
CVCL_0459 
[2]
Half Maximal Effective Concentration (EC50) 80000 nM
MDCK cells
Normal
CVCL_0422 
[1]
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
1F6-Met- (D)Lys-AW [Investigative]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [3]
Efficacy Data Tumor Growth Inhibition value (TGI)
93.88% (Day 30)
Positive TNF expression (TNF+++/++)
Method Description
1 mg mAb component/kg in vivo therapeutic efficacy of the conjugates in nude mice(5 animals/group).
In Vivo Model 786-O human RCC cell line xenograft model
In Vitro Model Renal cell carcinoma 786-O cells CVCL_1051
Revealed Based on the Cell Line Data
Click To Hide/Show 3 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
15.00 ng/mL
Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Clear cell renal cell carcinoma Caki-1 cells CVCL_0234
Experiment 2 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
16.00 ng/mL
Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Renal cell carcinoma 786-O cells CVCL_1051
Experiment 3 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
19.00 ng/mL
Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Hodgkin lymphoma L-428 cells CVCL_1361
1F6-Asn- (D)Lys-AW [Investigative]
 ADC Info 
Revealed Based on the Cell Line Data
Click To Hide/Show 3 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
20.00 ng/mL
Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Renal cell carcinoma 786-O cells CVCL_1051
Experiment 2 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
22.00 ng/mL
Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Clear cell renal cell carcinoma Caki-1 cells CVCL_0234
Experiment 3 Reporting the Activity Date of This ADC [3]
Efficacy Data Half Maximal Inhibitory Concentration (IC50) > 1000.00 ng/mL Positive TNF expression (TNF+++/++)
Method Description
IC50 values are the mean and SD of 21 independent experimental titrations, each performed at least in duplicate.
In Vitro Model Hodgkin lymphoma L-428 cells CVCL_1361
References
Ref 1 Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. J Med Chem. 2006 Jun 15;49(12):3636-44. doi: 10.1021/jm0511029.
Ref 2 Diarylheptanoids from the seeds of Alpinia katsumadai as heat shock factor 1 inducers. J Nat Prod. 2011 Oct 28;74(10):2109-15. doi: 10.1021/np200355n. Epub 2011 Sep 26.
Ref 3 Novel Peptide Linkers for Highly Potent Antibody-Auristatin Conjugate.

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