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

CHEMBL88771

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
O=C(O)CCc1c(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]c2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88771
Phase Preclinical
Structure Type MOL
InChI Key NQIZOXPPUYQOQV-QNGOZBTKSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
5.07
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O3
MW 412.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.22

Activity Summary

IC50 8 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 7.4 7.4 40.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.3 7.3 50.0 1
HUVEC
CHEMBL613979
 IC50 7.05 5.7525 90.0 4
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.96 6.96 110.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.9 5.9 1270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 40.0 nM 7.4 Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta 10893303
Vascular endothelial growth factor receptor 2 IC50 = 50.0 nM 7.3 Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial g... 10893303
HUVEC IC50 = 90.0 nM 7.05 Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or N... 10893303
Proto-oncogene tyrosine-protein kinase Src IC50 = 110.0 nM 6.96 Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase 10893303
HUVEC IC50 = 920.0 nM 6.04 Evaluated for the inhibition of cell proliferation induced by PDGF in HUVEC or N... 10893303
Fibroblast growth factor receptor 1 IC50 = 1270.0 nM 5.9 Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 10893303
HUVEC IC50 = 3800.0 nM 5.42 Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NI... 10893303
HUVEC IC50 = 31600.0 nM 4.5 Evaluated for the inhibition of cell proliferation induced by EGF in HUVEC or NI... 10893303

Literature References

PubMed DOI Target Context # Activities
10893303 10.1021/jm9906116 HUVEC 4
10893303 10.1021/jm9906116 Vascular endothelial growth factor receptor 2 1
10893303 10.1021/jm9906116 Fibroblast growth factor receptor 1 1
10893303 10.1021/jm9906116 Platelet-derived growth factor receptor beta 1
10893303 10.1021/jm9906116 Proto-oncogene tyrosine-protein kinase Src 1
10893303 10.1021/jm9906116 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine