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Ligand

NameCHEMBL316073
Molecular formulaC29H31ClN2O
IUPAC name(4-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
Molecular weight459.03
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50105509
(4-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CTK6G9165
(+/-)-rel-Piperidine, 1-[[(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-phenyl-
(4-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
[ Show all ]
Inchi KeyAAEHNXBQLULMSR-XTEPFMGCSA-N
Inchi IDInChI=1S/C29H31ClN2O/c30-27-13-11-25(12-14-27)29(33)32-20-26(28(21-32)24-9-5-2-6-10-24)19-31-17-15-23(16-18-31)22-7-3-1-4-8-22/h1-14,23,26,28H,15-21H2/t26-,28+/m0/s1
PubChem CID489810
ChEMBLCHEMBL316073
IUPHARN/A
BindingDB50105509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
132C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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