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Compound Detail

CHEMBL5598379

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N#CC1=C(N)OC2=C(c3sc(N)c(C#N)c3CC2)C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598379
Phase Preclinical
Structure Type MOL
InChI Key AHTMYMGKJHIOND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.37
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4OS
MW 346.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.08 8.08 8.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 8.32 nM 8.08 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