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Ligand

NameCHEMBL330570
Molecular formulaC35H36Cl2N2O3S2
IUPAC nameN-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methyl-4-phenylbenzenesulfonamide
Molecular weight667.704
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP7.2
Synonyms1''-[3-(3,4-dichlorophenyl)-4-methyl(4-phenylphenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4''-(hexahydropyridine)]
N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methyl-4-phenyl-benzenesulfonamide
AC1NUL4U
10-((3S)-3-(3,4-dichlorophenyl)-4-{methyl[(4-phenylphenyl)sulfonyl]amino}butyl)spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1-one
SCHEMBL8607885
[ Show all ]
Inchi KeyAAVVKVVWHPCJSK-CSOJFCJSSA-N
Inchi IDInChI=1S/C35H36Cl2N2O3S2/c1-38(44(41,42)30-14-11-27(12-15-30)26-7-3-2-4-8-26)24-29(28-13-16-32(36)33(37)23-28)17-20-39-21-18-35(19-22-39)25-43(40)34-10-6-5-9-31(34)35/h2-16,23,29H,17-22,24-25H2,1H3/t29-,43?/m1/s1
PubChem CID5481746
ChEMBLCHEMBL330570
IUPHARN/A
BindingDB50096506
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
578C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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