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Ligand

NameCHEMBL431947
Molecular formulaC18H27NO2
IUPAC name10-(dimethylamino)-9-(methoxymethyl)-1-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight289.419
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50050487
10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol
Inchi KeyLMPYGANIBIHENG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3
PubChem CID44301641
ChEMBLCHEMBL431947
IUPHARN/A
BindingDB50050487
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
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GLASS IDNameUniProtGeneSpeciesLength
191181Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
191183Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
191182Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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