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

CHEMBL443296

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
CCOc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(C)c2CCC(=O)O)c1

Basic Information

ChEMBL ID CHEMBL443296
Phase Preclinical
Structure Type MOL
InChI Key OYFXUFAPLNTDRA-BKUYFWCQSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.90
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O4
MW 416.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.31

Activity Summary

IC50 6 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.57 5.96 270.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.34 6.17 460.0 2
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 5.62 5.285 2380.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10602697 10.1021/jm9904295 Vascular endothelial growth factor receptor 2 2
10602697 10.1021/jm9904295 Fibroblast growth factor receptor 1 2
10602697 10.1021/jm9904295 Platelet-derived growth factor receptor beta 2
10602697 10.1021/jm9904295 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine