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

CHEMBL189851

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
CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189851
Phase Preclinical
Structure Type MOL
InChI Key FQQPROZCOUSSJP-UHFFFAOYSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
2.90
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.36
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 C26H36N8O3
MW 508.63
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.17

Activity Summary

IC50 10 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 7.82 6.6833 15.0 3
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.75 7.615 18.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.21 7.21 62.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 6.03 6.03 930.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 4.92 4.92 12000.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 4.46 4.46 35000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 15.0 nM 7.82 Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor 1 IC50 = 18.0 nM 7.75 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 2 IC50 = 62.0 nM 7.21 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Fibroblast growth factor receptor IC50 = 88.0 nM 7.06 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Vascular endothelial growth factor receptor IC50 = 930.0 nM 6.03 Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... 16000000
Fibroblast growth factor receptor IC50 = 6800.0 nM 5.17 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 12000.0 nM 4.92 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 35000.0 nM 4.46 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ... 16000000
Platelet-derived growth factor receptor beta IC50 = 45000.0 nM 4.35 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... 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