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Ligand

NameCHEMBL297653
Molecular formulaC30H31ClN4O5
IUPAC name1-[(2S)-1-[4-[[2-butyl-5-(carboxymethyl)-4-chloroimidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]pyrrole-2-carboxylic acid
Molecular weight563.051
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.4
SynonymsSCHEMBL9588466
1-{1-[4-(2-Butyl-5-carboxymethyl-4-chloro-imidazol-1-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-1H-pyrrole-2-carboxylic acid
1-[(S)-2-[[4-[(2-Butyl-4-chloro-5-(carboxymethyl)-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxo-1-benzylethyl]-1H-pyrrole-2-carboxylic acid
BDBM50047934
Inchi KeyFXJKNRYTYKTBIU-VWLOTQADSA-N
Inchi IDInChI=1S/C30H31ClN4O5/c1-2-3-11-26-33-28(31)24(18-27(36)37)35(26)19-21-12-14-22(15-13-21)32-29(38)25(17-20-8-5-4-6-9-20)34-16-7-10-23(34)30(39)40/h4-10,12-16,25H,2-3,11,17-19H2,1H3,(H,32,38)(H,36,37)(H,39,40)/t25-/m0/s1
PubChem CID15356431
ChEMBLCHEMBL297653
IUPHARN/A
BindingDB50047934
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
89652Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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