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Compound Detail

CHEMBL89010

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O=C1Nc2ccc(C(=O)O)cc2/C1=C/c1cc2c([nH]1)CCCC2

Basic Information

ChEMBL ID CHEMBL89010
Phase Preclinical
Structure Type MOL
InChI Key CKNQIKAQBWDTIP-ZROIWOOFSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.08
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O3
MW 308.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.48

Activity Summary

IC50 7 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.7 7.7 20.0 1
HUVEC
CHEMBL613979
IC50 7.52 6.0233 30.0 3
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.92 6.92 120.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.51 6.51 310.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 5.99 5.99 1030.0 1

Activity Data Samples

Top measurements by pChEMBL value

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