3-((2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)-2-BUTYL-3H-IMIDAZO[4,5-C]PYRIDIN-4(5H)-ONE

/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 XUZIAARJXWYAQV-UHFFFAOYSA-N
Smiles CCCCc1nc2ccnc(O)c2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
InChI
InChI=1S/C24H23N7O/c1-2-3-8-21-26-20-13-14-25-24(32)22(20)31(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,32)(H,27,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23N7O
Molecular Weight 425.49
AlogP 5.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 105.4
Molecular species ZWITTERION
Aromatic Rings 5.0
Heavy Atoms 32.0

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
- 416869383.47 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 416869383.47 - - -

Cross References

Resources Reference
ChEMBL CHEMBL429008
PubChem 10025443
SureChEMBL SCHEMBL8088116
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