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Ligand

NameCHEMBL39349
Molecular formulaC23H24N2O4S
IUPAC name2-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
Molecular weight424.515
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
Synonyms2-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid
(E)-3-[2-Butyl-1-(2-carboxybenzyl)-1H-imidazol-5-yl]-2-(2-thienylmethyl)acrylic acid
SCHEMBL6963959
1-[2-Carboxybenzyl]-2-butyl-alpha-[(2-thienyl)methyl]-1H-imidazole-5-propenoic acid
BDBM50011970
[ Show all ]
Inchi KeyCRLQCOCLBAZHBQ-SFQUDFHCSA-N
Inchi IDInChI=1S/C23H24N2O4S/c1-2-3-10-21-24-14-18(12-17(22(26)27)13-19-8-6-11-30-19)25(21)15-16-7-4-5-9-20(16)23(28)29/h4-9,11-12,14H,2-3,10,13,15H2,1H3,(H,26,27)(H,28,29)/b17-12+
PubChem CID14952909
ChEMBLCHEMBL39349
IUPHARN/A
BindingDB50011970
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
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GLASS IDNameUniProtGeneSpeciesLength
48895Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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