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Ligand

NameCHEMBL90272
Molecular formulaC25H33Cl2N3O3S2
IUPAC name(2S)-2-(3,4-dichlorophenyl)-N-(dimethylsulfamoyl)-N-methyl-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butan-1-amine
Molecular weight558.577
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
Synonyms1''-[3-(3,4-dichlorophenyl)-4-methyl(dimethylamino)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4''-(hexahydropyridine)]
AC1L9YS4
(2S)-2-(3,4-dichlorophenyl)-N-(dimethylsulfamoyl)-N-methyl-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butan-1-amine
1'-[(3S)-3-(3,4-Dichlorophenyl)-4-[methyl(dimethylaminosulfonyl)amino]butyl]spiro[1-benzothiophene-3(2H),4'-piperidine]1-oxide
BDBM50096518
[ Show all ]
Inchi KeyAXMFPMPIDBXVKP-DKVUXROGSA-N
Inchi IDInChI=1S/C25H33Cl2N3O3S2/c1-28(2)35(32,33)29(3)17-20(19-8-9-22(26)23(27)16-19)10-13-30-14-11-25(12-15-30)18-34(31)24-7-5-4-6-21(24)25/h4-9,16,20H,10-15,17-18H2,1-3H3/t20-,34?/m1/s1
PubChem CID478493
ChEMBLCHEMBL90272
IUPHARN/A
BindingDB50096518
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
16847C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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