4'-(2-BUTYL-BENZOIMIDAZOL-1-YLMETHYL)-BIPHENYL-2-CARBOXYLIC ACID

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key TVNBFJNQCWCHHE-UHFFFAOYSA-N
Smiles CCCCc1nc2ccccc2n1Cc3ccc(cc3)c4ccccc4C(=O)O
InChI
InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H24N2O2
Molecular Weight 384.47
AlogP 6.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 55.12
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 110.15-1100 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 110.15-1100 - - -

Cross References

Resources Reference
ChEMBL CHEMBL7632
PubChem 4110026
SureChEMBL SCHEMBL7021447
CONTENTS