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Ligand

NameCHEMBL3264446
Molecular formulaC18H26BrN3O3
IUPAC namemethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
Molecular weight412.328
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50012149
SCHEMBL16944623
Inchi KeyAJYHHWYDOWTOKZ-HZPDHXFCSA-N
Inchi IDInChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1
PubChem CID73295685
ChEMBLCHEMBL3264446
IUPHARN/A
BindingDB50012149
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
7329Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7330Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7331Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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