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Compound Detail

CHEMBL5182108

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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Basic Information

ChEMBL ID CHEMBL5182108
Phase Preclinical
Structure Type MOL
InChI Key YMHBKYYWYOQEBS-OTQNVIFNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1332.5
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C61H85N15O17S
MW 1332.51

Activity Summary

IC50 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanoma-associated antigen 4
CHEMBL4296022
IC50 7.86 7.86 13.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35522528 10.1021/acs.jmedchem.2c00185 Melanoma-associated antigen 4 1

Data from ChEMBL 36 via Core Engine