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Ligand

NameCHEMBL90463
Molecular formulaC20H29NO2
IUPAC name(9R,10R)-17-(2-ethoxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Molecular weight315.457
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.3
SynonymsMCL-109
BDBM50105481
17-(2-ethoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Inchi KeyAKYMKOCEELSTOI-ABZYKWASSA-N
Inchi IDInChI=1S/C20H29NO2/c1-2-23-12-11-21-10-9-20-8-4-3-5-18(20)19(21)14-15-13-16(22)6-7-17(15)20/h6-7,13,18-19,22H,2-5,8-12,14H2,1H3/t18-,19+,20?/m0/s1
PubChem CID44325125
ChEMBLCHEMBL90463
IUPHARN/A
BindingDB50105481
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
8030Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
8032Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
8031Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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