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Ligand

NameCHEMBL3814950
Molecular formulaC26H36N4O2
IUPAC name(3R)-7-hydroxy-N-[(2S)-3-methyl-1-(4-methyl-4-pyridin-3-ylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight436.6
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.5
SynonymsJ3.554.818A
(R)-7-Hydroxy-N-[(1S)-2-methyl-1-[[4-methyl-4-(3-pyridinyl)piperidino]methyl]propyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide
Inchi KeyACGTWYAXONAROP-DNQXCXABSA-N
Inchi IDInChI=1S/C26H36N4O2/c1-18(2)24(17-30-11-8-26(3,9-12-30)21-5-4-10-27-16-21)29-25(32)23-14-19-6-7-22(31)13-20(19)15-28-23/h4-7,10,13,16,18,23-24,28,31H,8-9,11-12,14-15,17H2,1-3H3,(H,29,32)/t23-,24-/m1/s1
PubChem CID127052128
ChEMBLCHEMBL3814950
IUPHARN/A
BindingDBN/A
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
521477Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
521479Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
521478Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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