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Ligand

NameCHEMBL340405
Molecular formulaC23H25FN4O2
IUPAC name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular weight408.477
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
Synonyms8-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-3-(4-pyridylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Inchi KeyIACYSTWKDNTUMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2
PubChem CID10001491
ChEMBLCHEMBL340405
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
128294Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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