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

CHEMBL187396

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
COc1cc(OC)cc(-c2cc3cnc(NCCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187396
Phase Preclinical
Structure Type MOL
InChI Key YEIRROBVFZDCIW-UHFFFAOYSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

536.7
MW (Da)
4.76
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N6O4
MW 536.68
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.14

Activity Summary

IC50 10 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 8.52 7.78 3.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.22 8.22 6.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.15 7.835 7.0 2
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 7.09 7.09 82.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.57 5.57 2700.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 4.82 4.82 15000.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 3.0 nM 8.52 Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor IC50 = 4.4 nM 8.36 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Fibroblast growth factor receptor 1 IC50 = 7.0 nM 8.15 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 16000000
Fibroblast growth factor receptor 1 IC50 = 30.0 nM 7.52 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Vascular endothelial growth factor receptor IC50 = 82.0 nM 7.09 Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... 16000000
Fibroblast growth factor receptor IC50 = 350.0 nM 6.46 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 2700.0 nM 5.57 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Platelet-derived growth factor receptor beta IC50 = 15000.0 nM 4.82 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 21000.0 nM 4.68 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ... 16000000

Literature References

PubMed DOI Target Context # Activities
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 3
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 1 2
16000000 10.1021/jm0500931 Vascular endothelial growth factor receptor 2 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor beta 1
16000000 10.1021/jm0500931 Proto-oncogene tyrosine-protein kinase Src 1
16000000 10.1021/jm0500931 Vascular endothelial growth factor receptor 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine