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Ligand

NameCHEMBL79369
Molecular formulaC28H34ClN3O2S
IUPAC nameN-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methylbenzenesulfonamide
Molecular weight512.109
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.8
SynonymsBenzenesulfonamide, N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-N-methyl-
N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-N-methylbenzenesulfonamide
AC1NULYQ
SCHEMBL8580471
N-[(2S)-2-(3-chlorophenyl)-4-[4-(o-tolyl)piperazin-1-yl]butyl]-N-methyl-benzenesulfonamide
[ Show all ]
Inchi KeyASNNTFFABYDNRF-RUZDIDTESA-N
Inchi IDInChI=1S/C28H34ClN3O2S/c1-23-9-6-7-14-28(23)32-19-17-31(18-20-32)16-15-25(24-10-8-11-26(29)21-24)22-30(2)35(33,34)27-12-4-3-5-13-27/h3-14,21,25H,15-20,22H2,1-2H3/t25-/m1/s1
PubChem CID5482456
ChEMBLCHEMBL79369
IUPHARN/A
BindingDB50104228
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
13343C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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