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Compound Detail

CHEMBL495899

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Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1

Basic Information

ChEMBL ID CHEMBL495899
Phase Preclinical
Structure Type MOL
InChI Key PDWRZBSKQUYRCV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
3.09
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4O
MW 302.34
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.21 6.21 610.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 610.0 nM 6.21 Inhibition of c-Met by HTRF assay 18426196
Hepatocyte growth factor receptor IC50 = 610.0 nM 6.21 Inhibition of human c-MET 21641696

Literature References

PubMed DOI Target Context # Activities
18426196 10.1021/jm800043g Hepatocyte growth factor receptor 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine