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Compound Detail

CHEMBL426602

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COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL426602
Phase Preclinical
Structure Type MOL
InChI Key NHMWKPIXGXPWGN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
5.83
ALogP
5
HBA
2
HBD
81.7
PSA (Ų)
0.40
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 C24H20FN3O4
MW 433.44
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.92 8.92 1.2 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 8.19 8.19 6.4 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