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Compound Detail

CHEMBL497119

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Oc1ccc(Cc2nnc3ccc(-c4ccco4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL497119
Phase Preclinical
Structure Type MOL
InChI Key DBJXJFMUTHNNGW-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.68
ALogP
6
HBA
1
HBD
76.5
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 C16H12N4O2
MW 292.30
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.84

Activity Summary

IC50 3 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.54 7.32 29.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18426196 10.1021/jm800043g Hepatocyte growth factor receptor 2
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine