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Compound Detail

CHEMBL67436

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COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1F

Basic Information

ChEMBL ID CHEMBL67436
Phase Preclinical
Structure Type MOL
InChI Key KSELTIXXASIVDL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
4.07
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FNO3
MW 313.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 5.0 nM 8.3 Inhibition of human PDGF receptor phosphorylation; 0.003-0.005 8035419

Literature References

PubMed DOI Target Context # Activities
8035419 10.1021/jm00040a003 Platelet-derived growth factor receptor 1
8035419 10.1021/jm00040a003 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine