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Ligand

NameCHEMBL91374
Molecular formulaC29H32Cl2N2O4S2
IUPAC nameN-[2-(3,5-dichlorophenyl)-4-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
Molecular weight607.605
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.7
Synonyms1''-[3-(3,5-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4''-(hexahydropyridine)]
N-[2-(3,5-dichlorophenyl)-4-(1,1-dioxospiro[2H-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methyl-benzenesulfonamide
AC1LA1IG
10-{3-(3,5-Dichlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1,1-dione
SCHEMBL8607734
[ Show all ]
Inchi KeyAMUYEBYBXUGDJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)26-7-3-2-4-8-26)20-22(23-17-24(30)19-25(31)18-23)11-14-33-15-12-29(13-16-33)21-38(34,35)28-10-6-5-9-27(28)29/h2-10,17-19,22H,11-16,20-21H2,1H3
PubChem CID479847
ChEMBLCHEMBL91374
IUPHARN/A
BindingDB50096577
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
9280C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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