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Ligand

NameMLS004801940
Molecular formulaC17H24BrN3O3
IUPAC namemethyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
Molecular weight398.301
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.4
SynonymsCHEMBL3186807
SCHEMBL16944499
BDBM155095
CYM-50064
SMR003523245
[ Show all ]
Inchi KeyAEJRXZAXGRDVEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24BrN3O3/c1-23-17(22)15-10-12(18)11-19-16(15)21-6-2-13(3-7-21)20-14-4-8-24-9-5-14/h10-11,13-14,20H,2-9H2,1H3
PubChem CID60156238
ChEMBLCHEMBL3186807
IUPHARN/A
BindingDB155095
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
463318Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
463319Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
463320Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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