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Ligand

NameCHEMBL3815013
Molecular formulaC25H34N4O2
IUPAC name(3R)-7-hydroxy-N-[(2S)-3-methyl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight422.573
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsN/A
Inchi KeyAFEWQFQXYDVMHB-DNQXCXABSA-N
Inchi IDInChI=1S/C25H34N4O2/c1-17(2)24(16-29-11-7-19(8-12-29)18-5-9-26-10-6-18)28-25(31)23-14-20-3-4-22(30)13-21(20)15-27-23/h3-6,9-10,13,17,19,23-24,27,30H,7-8,11-12,14-16H2,1-2H3,(H,28,31)/t23-,24-/m1/s1
PubChem CID127052129
ChEMBLCHEMBL3815013
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
521564Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
521563Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
521562Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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