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Ligand

NameCHEMBL275382
Molecular formulaC20H21BrN2O2
IUPAC name4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoic acid
Molecular weight401.304
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
Synonyms1-(4-Bromobenzyl)-beta,beta-dimethyl-1H-benzimidazole-2-butanoic acid
BDBM50047079
SCHEMBL9683466
4-[1-(4-Bromo-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
Inchi KeyASDOMWATTDEAHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21BrN2O2/c1-20(2,12-19(24)25)11-18-22-16-5-3-4-6-17(16)23(18)13-14-7-9-15(21)10-8-14/h3-10H,11-13H2,1-2H3,(H,24,25)
PubChem CID14953104
ChEMBLCHEMBL275382
IUPHARN/A
BindingDB50047079
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13034Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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