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Ligand

NameCHEMBL48526
Molecular formulaC23H27ClN4O4
IUPAC namemethyl 1-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-oxoethyl]pyrrole-2-carboxylate
Molecular weight458.943
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
Synonyms1-{[4-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-phenylcarbamoyl]-methyl}-1H-pyrrole-2-carboxylic acid methyl ester
1-[2-[[4-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxylic acid methyl ester
BDBM50047936
Inchi KeyGONUYIXKBIPRQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27ClN4O4/c1-3-4-7-20-26-22(24)19(15-29)28(20)13-16-8-10-17(11-9-16)25-21(30)14-27-12-5-6-18(27)23(31)32-2/h5-6,8-12,29H,3-4,7,13-15H2,1-2H3,(H,25,30)
PubChem CID44293406
ChEMBLCHEMBL48526
IUPHARN/A
BindingDB50047936
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
101392Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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