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Compound Detail

CHEMBL147761

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Cc1c[nH]c(/C=C2\C(=O)Nc3cccc(C)c32)c1CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL147761
Phase Preclinical
Structure Type MOL
InChI Key WFEYKXAXXWJCGD-JYRVWZFOSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.14
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O3
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.09

Activity Summary

IC50 7 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.52 7.06 30.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.0 6.85 100.0 2
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 5.68 5.005 2110.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 4.54 4.54 28800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 30.0 nM 7.52 Inhibitory activity against Fibroblast growth factor receptor 1 10602697
Vascular endothelial growth factor receptor 2 IC50 = 100.0 nM 7.0 Inhibitory activity of compound against VEGF induced cell proliferation 10602697
Vascular endothelial growth factor receptor 2 IC50 = 200.0 nM 6.7 Inhibitory activity against Vascular endothelial growth factor receptor 2 10602697
Fibroblast growth factor receptor 1 IC50 = 250.0 nM 6.6 Inhibitory activity of compound against FGF induced cell proliferation 10602697
Platelet-derived growth factor receptor beta IC50 = 2110.0 nM 5.68 Inhibitory activity against Platelet-derived growth factor receptor beta 10602697
Epidermal growth factor receptor IC50 = 28800.0 nM 4.54 Inhibitory activity against ligand-dependent EGF cell proliferation 10602697
Platelet-derived growth factor receptor beta IC50 = 46400.0 nM 4.33 Inhibitory activity of compound against PDGF induced cell proliferation 10602697

Literature References

PubMed DOI Target Context # Activities
10602697 10.1021/jm9904295 Vascular endothelial growth factor receptor 2 2
10602697 10.1021/jm9904295 Fibroblast growth factor receptor 1 2
10602697 10.1021/jm9904295 Platelet-derived growth factor receptor beta 2
10602697 10.1021/jm9904295 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine