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Ligand

NameCHEMBL17336
Molecular formulaC20H27N3OS
IUPAC name(2R)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular weight357.516
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
Synonyms(alphaR)-alpha-Isothiocyanato-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide
Inchi KeyFNFPEYFFVUCCKM-GBESFXJTSA-N
Inchi IDInChI=1S/C20H27N3OS/c1-22(17-11-5-6-12-18(17)23-13-7-8-14-23)20(24)19(21-15-25)16-9-3-2-4-10-16/h2-4,9-10,17-19H,5-8,11-14H2,1H3/t17-,18-,19+/m0/s1
PubChem CID14632746
ChEMBLCHEMBL17336
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
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GLASS IDNameUniProtGeneSpeciesLength
82551Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
82553Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
82554Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
82552Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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