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Compound Detail

CHEMBL347074

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Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2cc(-c3ccccc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347074
Phase Preclinical
Structure Type MOL
InChI Key CEFJMJRPRONXNH-UNOMPAQXSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
4.50
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O3
MW 372.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.01

Activity Summary

IC50 7 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 6.82 6.81 150.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.52 6.305 300.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.0 5.99 1000.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 4.66 4.66 21800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 150.0 nM 6.82 Inhibitory activity of compound against PDGF induced cell proliferation 10602697
Platelet-derived growth factor receptor beta IC50 = 160.0 nM 6.8 Inhibitory activity against Platelet-derived growth factor receptor beta 10602697
Vascular endothelial growth factor receptor 2 IC50 = 300.0 nM 6.52 Inhibitory activity against Vascular endothelial growth factor receptor 2 10602697
Vascular endothelial growth factor receptor 2 IC50 = 810.0 nM 6.09 Inhibitory activity of compound against VEGF induced cell proliferation 10602697
Fibroblast growth factor receptor 1 IC50 = 1000.0 nM 6.0 Inhibitory activity of compound against FGF induced cell proliferation 10602697
Fibroblast growth factor receptor 1 IC50 = 1050.0 nM 5.98 Inhibitory activity against Fibroblast growth factor receptor 1 10602697
Epidermal growth factor receptor IC50 = 21800.0 nM 4.66 Inhibitory activity against ligand-dependent EGF 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