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Ligand

NameCHEMBL3326360
Molecular formulaC21H23NO5
IUPAC name3-[(1S,3S,4S,6R,7S)-6-(3-methoxyphenyl)-3,6-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]phenol
Molecular weight369.417
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50101309
Inchi KeyCNHQLXJWTWVSSF-FCMAGTKHSA-N
Inchi IDInChI=1S/C21H23NO5/c1-20(14-7-5-9-16(11-14)24-3)18-22-17(12-25-18)26-21(2,19(22)27-20)13-6-4-8-15(23)10-13/h4-11,17-19,23H,12H2,1-3H3/t17-,18-,19-,20+,21-/m0/s1
PubChem CID118711585
ChEMBLCHEMBL3326360
IUPHARN/A
BindingDB50101309
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443484Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
443485Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
443486Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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