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Ligand

NameCHEMBL312701
Molecular formulaC28H33ClN2O2S
IUPAC nameN-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Molecular weight497.094
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.1
SynonymsSCHEMBL8042154
BDBM50096557
N-Methyl-N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidino)butyl]benzenesulfonamide
N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide
[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
[ Show all ]
Inchi KeyBALBRXHVFNIXBS-AREMUKBSSA-N
Inchi IDInChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1
PubChem CID478307
ChEMBLCHEMBL312701
IUPHARN/A
BindingDB50096557
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
18963C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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