Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL362188

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL362188
Phase Preclinical
Structure Type MOL
InChI Key RGAHTFBLOZYPNE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
6.34
ALogP
5
HBA
2
HBD
81.7
PSA (Ų)
0.36
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 C24H20ClN3O4
MW 449.89
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.10

Activity Summary

IC50 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.8 8.8 1.6 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 7.62 7.62 24.0 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