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Compound Detail

CHEMBL5596808

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CCOC(=O)/C(Sc1nc2ccccc2c(=O)n1C(=O)OCC)=C1/SC=C(O)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596808
Phase Preclinical
Structure Type MOL
InChI Key FQVXGWWWPOXCMP-VZCXRCSSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
4.84
ALogP
11
HBA
1
HBD
111.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O6S2
MW 511.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 0.79 nM 9.1 Inhibition of c-MET (unknown origin) 38733884

Literature References

PubMed DOI Target Context # Activities
38733884 10.1016/j.ejmech.2024.116477 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine