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Compound Detail

CHEMBL309035

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COc1ccc2c(c1)ncn2-c1ccc(N)cc1

Basic Information

ChEMBL ID CHEMBL309035
Phase Preclinical
Structure Type MOL
InChI Key KLJLVCKIKCKKEA-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.62
ALogP
4
HBA
1
HBD
53.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O
MW 239.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.22

Activity Summary

IC50 3 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.55 6.55 280.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
IC50 5.87 5.87 1360.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.75 4.75 18000.0 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
10395478 10.1021/jm980658b Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine