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Compound Detail

CHEMBL80873

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Oc1ccc2c(c1)ncn2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80873
Phase Preclinical
Structure Type MOL
InChI Key OQAPWZCMAFFBBL-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
2.73
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O
MW 210.24
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.93

Activity Summary

IC50 6 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 6.89 6.89 130.0 2
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 6.36 6.36 440.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.19 5.19 6400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor (PDGFr) IC50 = 130.0 nM 6.89 Inhibition of Platelet-derived growth factor receptor beta autophosphorylation i... 10395478
Platelet-derived growth factor receptor (PDGFr) IC50 = 130.0 nM 6.89 Inhibition of PDGF-stimulated Platelet-derived growth factor receptor autophosph... 9876115
Platelet-derived growth factor receptor beta IC50 = 440.0 nM 6.36 Inhibition of [32P]ATP incorporated (phosphorylation) into glutamate-tyrosine co... 10395478
Platelet-derived growth factor receptor beta IC50 = 440.0 nM 6.36 Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysate... 9876115
Fibroblast growth factor receptor 1 IC50 = 6400.0 nM 5.19 Inhibition of [32P]ATP incorporated (phosphorylation) into glutamate-tyrosine co... 10395478
Fibroblast growth factor receptor 1 IC50 = 6400.0 nM 5.19 Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysate... 9876115

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
10395478 10.1021/jm980658b Platelet-derived growth factor receptor (PDGFr) 1
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor beta 1
9876115 10.1021/jm9804681 Fibroblast growth factor receptor 1 1
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine