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Compound Detail

CHEMBL191023

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CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3cc(OC)cc(OC)c3)cc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191023
Phase Preclinical
Structure Type MOL
InChI Key YMKCMNJQFGEWCA-UHFFFAOYSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
5.77
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42N6O3
MW 522.69
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.02

Activity Summary

IC50 10 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 9.3 8.04 0.5 3
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.22 8.22 6.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.22 7.91 6.0 2
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 7.37 7.37 43.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.68 5.68 2100.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.58 5.58 2600.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 5.34 5.34 4600.0 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-stimulated human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor IC50 = 2.7 nM 8.57 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor 1 IC50 = 6.0 nM 8.22 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 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 = 25.0 nM 7.6 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Vascular endothelial growth factor receptor IC50 = 43.0 nM 7.37 Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... 16000000
Fibroblast growth factor receptor IC50 = 560.0 nM 6.25 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 2100.0 nM 5.68 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Platelet-derived growth factor receptor beta IC50 = 2600.0 nM 5.58 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 4600.0 nM 5.34 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