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Ligand

NameCHEMBL49748
Molecular formulaC27H35ClN4O4
IUPAC namemethyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-1-oxohexan-2-yl]pyrrole-2-carboxylate
Molecular weight515.051
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.2
Synonyms1-[(S)-2-[[4-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxo-1-butylethyl]-1H-pyrrole-2-carboxylic acid methyl ester
BDBM50047927
1-{1-[4-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-phenylcarbamoyl]-pentyl}-1H-pyrrole-2-carboxylic acid methyl ester
Inchi KeyDVMFXMITTFQZBJ-NRFANRHFSA-N
Inchi IDInChI=1S/C27H35ClN4O4/c1-4-6-9-21(31-16-8-10-22(31)27(35)36-3)26(34)29-20-14-12-19(13-15-20)17-32-23(18-33)25(28)30-24(32)11-7-5-2/h8,10,12-16,21,33H,4-7,9,11,17-18H2,1-3H3,(H,29,34)/t21-/m0/s1
PubChem CID44293656
ChEMBLCHEMBL49748
IUPHARN/A
BindingDB50047927
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
70046Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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