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Ligand

NameCHEMBL3326359
Molecular formulaC22H25NO5
IUPAC name(1S,3S,4S,6R,7S)-3,6-bis(3-methoxyphenyl)-3,6-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decane
Molecular weight383.444
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50101310
(2S,4R)-2,2abeta,4,4abeta,6,6abeta-Hexahydro-2,4-bis(3-methoxyphenyl)-2,4-dimethyl-1,3,5-trioxa-6b-azacyclopenta[cd]pentalene
Inchi KeyBISYCXYJFMIOEX-KGWSWXIGSA-N
Inchi IDInChI=1S/C22H25NO5/c1-21(14-7-5-9-16(11-14)24-3)19-23-18(13-26-19)27-22(2,20(23)28-21)15-8-6-10-17(12-15)25-4/h5-12,18-20H,13H2,1-4H3/t18-,19-,20-,21+,22-/m0/s1
PubChem CID102265762
ChEMBLCHEMBL3326359
IUPHARN/A
BindingDB50101310
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
442637Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
442635Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
442636Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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