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Compound Detail

CHEMBL148744

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Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1CCC(=O)O

Basic Information

ChEMBL ID CHEMBL148744
Phase Preclinical
Structure Type MOL
InChI Key MLCYRSPCPRZKNI-QPEQYQDCSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
3.60
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.71
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 C17H15BrN2O3
MW 375.22
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

IC50 6 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.4 6.93 40.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.1 6.705 80.0 2
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.21 5.69 620.0 2

Activity Data Samples

Top measurements by pChEMBL value

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