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Compound Detail

CHEMBL190389

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CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190389
Phase Preclinical
Structure Type MOL
InChI Key QTMASMKMHNYBIC-UHFFFAOYSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
4.99
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N6O3
MW 494.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.12

Activity Summary

IC50 10 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 8.59 7.2633 2.6 3
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.89 7.755 13.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.34 7.34 46.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
 IC50 6.28 6.28 530.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.46 5.46 3500.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.19 5.19 6500.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 2.6 nM 8.59 Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor 1 IC50 = 13.0 nM 7.89 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 16000000
Fibroblast growth factor receptor IC50 = 14.0 nM 7.85 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Fibroblast growth factor receptor 1 IC50 = 24.0 nM 7.62 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Vascular endothelial growth factor receptor 2 IC50 = 46.0 nM 7.34 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Vascular endothelial growth factor receptor IC50 = 530.0 nM 6.28 Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 3500.0 nM 5.46 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Fibroblast growth factor receptor IC50 = 4500.0 nM 5.35 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Platelet-derived growth factor receptor beta IC50 = 6500.0 nM 5.19 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel... 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 7000.0 nM 5.16 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