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Ligand

NameCHEMBL2088049
Molecular formulaC21H23ClN2OS
IUPAC name2-[(2-chlorophenyl)methyl]-3-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropanenitrile
Molecular weight386.938
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50420819
Inchi KeyAXICZPDGGKLLHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN2OS/c22-19-4-2-1-3-18(19)13-16(14-23)15-24-9-7-21(8-10-24)20-17(5-11-25-21)6-12-26-20/h1-4,6,12,16H,5,7-11,13,15H2
PubChem CID60154198
ChEMBLCHEMBL2088049
IUPHARN/A
BindingDB50420819
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
16720Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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