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Ligand

NameSCHEMBL16945023
Molecular formulaC22H26FN5O
IUPAC nameN-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
Molecular weight395.482
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM158394
US9682966, 481
Inchi KeyAFVZPBXGBZUBMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FN5O/c1-14-24-21(27-29-14)19-12-15-6-7-16(23)13-20(15)26-22(19)28-10-8-18(9-11-28)25-17-4-2-3-5-17/h6-7,12-13,17-18,25H,2-5,8-11H2,1H3
PubChem CID118264053
ChEMBLN/A
IUPHARN/A
BindingDB158394
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
536048Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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