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Ligand

NameCHEMBL2204353
Molecular formulaC21H24ClFN2O2S
IUPAC name(2S)-2-[(2-chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanamide
Molecular weight422.943
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50400875
Inchi KeyAOKFEEKZCZTORV-INIZCTEOSA-N
Inchi IDInChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
PubChem CID52951675
ChEMBLCHEMBL2204353
IUPHARN/A
BindingDB50400875
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
10305Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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