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Ligand

NameCHEMBL3740636
Molecular formulaC26H30FN3O3
IUPAC name[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
Molecular weight451.542
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsJ3.517.041C
(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)(p-methoxyphenyl) ketone
Inchi KeyAOIWVIODQBYDES-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30FN3O3/c1-32-22-5-2-20(3-6-22)26(31)30-14-8-18(9-15-30)17-29-12-10-19(11-13-29)25-23-7-4-21(27)16-24(23)33-28-25/h2-7,16,18-19H,8-15,17H2,1H3
PubChem CID127042412
ChEMBLCHEMBL3740636
IUPHARN/A
BindingDBN/A
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
5217355-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5217335-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
521734D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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