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Ligand

NameCHEMBL2204348
Molecular formulaC22H26ClFN2O2S
IUPAC name(2R)-2-[(2-chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methylpropanamide
Molecular weight436.97
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50400866
Inchi KeyBFXFATDFGYSQHY-QGZVFWFLSA-N
Inchi IDInChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
PubChem CID52951942
ChEMBLCHEMBL2204348
IUPHARN/A
BindingDB50400866
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
22725Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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