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Ligand

NameCHEMBL3741553
Molecular formulaC24H28FN3O3S
IUPAC name3-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
Molecular weight457.564
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsJ3.517.043J
(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)phenyl sulfone
Inchi KeyAOLAMVAYRSUIEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28FN3O3S/c25-20-6-7-22-23(16-20)31-26-24(22)19-10-12-27(13-11-19)17-18-8-14-28(15-9-18)32(29,30)21-4-2-1-3-5-21/h1-7,16,18-19H,8-15,17H2
PubChem CID127042414
ChEMBLCHEMBL3741553
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
5217365-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5217375-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
521738D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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