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Ligand

NameCHEMBL88455
Molecular formulaC29H34N2O2S2
IUPAC nameN-methyl-N-(2-phenyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)benzenesulfonamide
Molecular weight506.723
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.7
SynonymsMethyl(2-phenyl-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-10-ylbutyl)(phenylsulfonyl)amine
SCHEMBL8331494
N-methyl-N-(2-phenyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)benzenesulfonamide
AC1LA1HV
N-methyl-N-(2-phenyl-4-spiro[2H-benzothiophene-3,4'-piperidine]-1'-yl-butyl)benzenesulfonamide
[ Show all ]
Inchi KeyAPZFEOVXGQEKMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N2O2S2/c1-30(35(32,33)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-34-28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3
PubChem CID479835
ChEMBLCHEMBL88455
IUPHARN/A
BindingDB50096553
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11476C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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