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Compound Detail

CHEMBL88606

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O=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88606
Phase Preclinical
Structure Type MOL
InChI Key RFHPWPWVGFSLOP-ZROIWOOFSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)
4.15
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrN2O
MW 343.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.70

Activity Summary

IC50 7 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.16 7.16 70.0 1
HUVEC
CHEMBL613979
 IC50 6.96 5.7567 110.0 3
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 6.04 6.04 920.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 5.31 5.31 4920.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 4.88 4.88 13300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 70.0 nM 7.16 Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial g... 10893303
HUVEC IC50 = 110.0 nM 6.96 Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or N... 10893303
Platelet-derived growth factor receptor beta IC50 = 920.0 nM 6.04 Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta 10893303
HUVEC IC50 = 2010.0 nM 5.7 Evaluated for the inhibition of cell proliferation induced by PDGF in HUVEC or N... 10893303
Proto-oncogene tyrosine-protein kinase Src IC50 = 4920.0 nM 5.31 Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase 10893303
Fibroblast growth factor receptor 1 IC50 = 13300.0 nM 4.88 Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 10893303
HUVEC IC50 = 24600.0 nM 4.61 Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NI... 10893303

Literature References

PubMed DOI Target Context # Activities
10893303 10.1021/jm9906116 HUVEC 4
10893303 10.1021/jm9906116 Vascular endothelial growth factor receptor 2 1
10893303 10.1021/jm9906116 Fibroblast growth factor receptor 1 1
10893303 10.1021/jm9906116 Platelet-derived growth factor receptor beta 1
10893303 10.1021/jm9906116 Proto-oncogene tyrosine-protein kinase Src 1
10893303 10.1021/jm9906116 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine