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Compound Detail

CHEMBL76962

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COc1cc2ncn(-c3ccccc3)c2cc1C=O

Basic Information

ChEMBL ID CHEMBL76962
Phase Preclinical
Structure Type MOL
InChI Key RIWYYSANHUHQRG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.85
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.67
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 C15H12N2O2
MW 252.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.81

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.0 6.0 1000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10395478 10.1021/jm980658b Platelet-derived growth factor receptor beta 1
10395478 10.1021/jm980658b Fibroblast growth factor receptor 1 1
10395478 10.1021/jm980658b Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine