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Ligand

NameCHEMBL315469
Molecular formulaC23H25N7O3
IUPAC name2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]propanoic acid
Molecular weight447.499
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50044494
SCHEMBL9032521
2-{3-Butyl-5-oxo-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-[1,2,4]triazol-1-yl}-propionic acid
2-[[4-[[2'-(2H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-5-butyl-3,4-dihydro-3-oxo-2H-1,2,4-triazol]-2-yl]propanoic acid
Inchi KeyAXEIUUWKJNJHAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N7O3/c1-3-4-9-20-26-30(15(2)22(31)32)23(33)29(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)21-24-27-28-25-21/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,31,32)(H,24,25,27,28)
PubChem CID14956788
ChEMBLCHEMBL315469
IUPHARN/A
BindingDB50044494
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
16614Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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