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Compound Detail

CHEMBL204225

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COc1cc2ncnc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204225
Phase Preclinical
Structure Type MOL
InChI Key TXVYIABBXQJFTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
5.53
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O4
MW 450.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor alpha IC50 = 9.0 nM 8.05 Inhibition of PDGFR alpha phosphorylation in G292 cell 16570914

Literature References

PubMed DOI Target Context # Activities
16570914 10.1021/jm0506423 Platelet-derived growth factor receptor alpha 1
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine