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Ligand

NameCHEMBL166161
Molecular formulaC23H27FN2O2S
IUPAC name3-[2-[4-(benzenesulfinylmethyl)-4-methoxypiperidin-1-yl]ethyl]-5-fluoro-1H-indole
Molecular weight414.539
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms5-Fluoro-3-[3-(4-methoxy-4-(methylsulfinyl)benzenepiperidin-1-yl)-ethyl]-1H-indole
NCGC00025092-01
B6667
GR 159897
Tocris-1274
[ Show all ]
Inchi KeyBANYJBHWTOJQDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3
PubChem CID3570748
ChEMBLCHEMBL166161
IUPHARN/A
BindingDB50097911
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
19025Substance-K receptorP21452TACR2Homo sapiens (Human)398

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