3-((2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)-2-BUTYL-4-OXO-N,N-DIPHENYL-3H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-CARBOXAMIDE

/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 IQVSORZMXLQCSZ-UHFFFAOYSA-N
Smiles CCCCc1nc2C=CN(C(=O)N(c3ccccc3)c4ccccc4)C(=O)c2n1Cc5ccc(cc5)c6ccccc6c7nnn[nH]7
InChI
InChI=1S/C37H32N8O2/c1-2-3-18-33-38-32-23-24-43(37(47)45(28-12-6-4-7-13-28)29-14-8-5-9-15-29)36(46)34(32)44(33)25-26-19-21-27(22-20-26)30-16-10-11-17-31(30)35-39-41-42-40-35/h4-17,19-24H,2-3,18,25H2,1H3,(H,39,40,41,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H32N8O2
Molecular Weight 620.7
AlogP 6.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 112.9
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 47.0

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
- 175792361.4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 175792361.4 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2281656
PubChem 76334344
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