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Ligand

NameSCHEMBL16944797
Molecular formulaC23H29N5O
IUPAC name3-methyl-5-[6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
Molecular weight391.519
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsUS9682966, 266
BDBM156473
Inchi KeyADLYKPKJJUYYPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N5O/c1-16-6-7-21-18(14-16)15-20(23-24-17(2)26-29-23)22(25-21)28-12-8-19(9-13-28)27-10-4-3-5-11-27/h6-7,14-15,19H,3-5,8-13H2,1-2H3
PubChem CID118263831
ChEMBLN/A
IUPHARN/A
BindingDB156473
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
535981Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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