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Ligand

NameCHEMBL350384
Molecular formulaC20H29NO2
IUPAC name1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight315.457
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.9
Synonyms6-Ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol
6-Ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol
6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
71990-00-6
AC1L1AZW
[ Show all ]
Inchi KeyZDXGFIXMPOUDFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
PubChem CID1223
ChEMBLCHEMBL350384
IUPHARN/A
BindingDB50013388
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
425992Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462828Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
425987Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
425989Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
425988Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
425990Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
425991Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
425993Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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