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Ligand

NameCHEMBL279968
Molecular formulaC19H25NO2
IUPAC name(1S,13R)-10-(cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Molecular weight299.414
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.0
SynonymsETHYLKETOCYCLAZOCINE
EKC(-)
SCHEMBL12013196
3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
EKC
[ Show all ]
Inchi KeySEJUQQOPVAUETF-BKBNBNODSA-N
Inchi IDInChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
PubChem CID44273397
ChEMBLCHEMBL279968
IUPHARN/A
BindingDB50000091
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
312167Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
461915Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
312164Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
312165Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
312166Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
312168Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
312169Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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