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Ligand

NameSCHEMBL16945084
Molecular formulaC18H26BrN3O3
IUPAC namemethyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
Molecular weight412.328
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.8
SynonymsUS9682966, 544
BDBM159094
Inchi KeyAJYHHWYDOWTOKZ-HOTGVXAUSA-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-/m0/s1
PubChem CID118264113
ChEMBLN/A
IUPHARN/A
BindingDB159094
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
557496Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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