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

CHEMBL191070

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(NCCCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191070
Phase Preclinical
Structure Type MOL
InChI Key PGLZJHICUYCCJE-UHFFFAOYSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
5.15
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N6O4
MW 550.70
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.09

Activity Summary

IC50 9 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 9.3 8.1567 0.5 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.15 8.15 7.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.05 7.765 9.0 2
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 7.04 7.04 91.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.54 5.54 2900.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 0.5 nM 9.3 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor IC50 = 2.0 nM 8.7 Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation 16000000
Vascular endothelial growth factor receptor 2 IC50 = 7.0 nM 8.15 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Fibroblast growth factor receptor 1 IC50 = 9.0 nM 8.05 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 16000000
Fibroblast growth factor receptor 1 IC50 = 33.0 nM 7.48 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Vascular endothelial growth factor receptor IC50 = 91.0 nM 7.04 Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... 16000000
Fibroblast growth factor receptor IC50 = 340.0 nM 6.47 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 2900.0 nM 5.54 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 16000.0 nM 4.8 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