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

CHEMBL283088

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
COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283088
Phase Preclinical
Structure Type MOL
InChI Key GSFNVLNOUTVLFC-UHFFFAOYSA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
3.80
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.59
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 C22H25ClFN5O2
MW 445.93
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.63

Activity Summary

IC50 7 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.52 7.52 30.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 7.0 7.0 100.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 6.7 6.7 200.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 6.52 6.52 300.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.1 5.1 8000.0 1
HUVEC
CHEMBL613979
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 30.0 nM 7.52 Inhibition of vascular endothelial growth factor receptor 2 kinase activity at a... 11881999
Vascular endothelial growth factor receptor IC50 = 100.0 nM 7.0 Inhibition of human endothelial cell growth stimulate by vascular endothelial gr... 11881999
Epidermal growth factor receptor IC50 = 200.0 nM 6.7 Inhibition of epidermal growth factor receptor kinase activity at a concentratio... 11881999
Epidermal growth factor receptor IC50 = 200.0 nM 6.7 Inhibition of human endothelial cell growth stimulate by endothelial growth fact... 11881999
Vascular endothelial growth factor receptor 1 IC50 = 300.0 nM 6.52 Inhibition of fms-like tyrosine kinase receptor (Flt-1) kinase activity at a con... 11881999
Fibroblast growth factor receptor 1 IC50 = 8000.0 nM 5.1 Inhibition fibroblast growth factor receptor TK kinase activity at a concentrati... 11881999
HUVEC IC50 = 10000.0 nM 5.0 Inhibition of basal unstimulated growth of human endothelial cell 11881999

Literature References

PubMed DOI Target Context # Activities
11881999 10.1021/jm011022e Epidermal growth factor receptor 2
11881999 10.1021/jm011022e Vascular endothelial growth factor receptor 1 1
11881999 10.1021/jm011022e Vascular endothelial growth factor receptor 2 1
11881999 10.1021/jm011022e Fibroblast growth factor receptor 1 1
11881999 10.1021/jm011022e Vascular endothelial growth factor receptor 1
11881999 10.1021/jm011022e HUVEC 1

Data from ChEMBL 36 via Core Engine