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Ligand

NameCHEMBL299460
Molecular formulaC17H25NO2
IUPAC name10-(dimethylamino)-9-(hydroxymethyl)-1-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight275.392
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50050477
10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol
Inchi KeyDYPNTTBEDJXBAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3
PubChem CID44301963
ChEMBLCHEMBL299460
IUPHARN/A
BindingDB50050477
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
72175Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
72176Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
72174Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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