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Compound Detail

CHEMBL178276

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COc1cc2nccc(Oc3ccc(N/C(S)=N/c4ccc(F)cc4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL178276
Phase Preclinical
Structure Type MOL
InChI Key CHXXFDZXNXYYOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
6.21
ALogP
5
HBA
2
HBD
65.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20FN3O3S
MW 449.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743179 10.1021/jm030427r Vascular endothelial growth factor receptor 2 1
15743179 10.1021/jm030427r Platelet-derived growth factor receptor alpha 1

Data from ChEMBL 36 via Core Engine