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Ligand

NameCHEMBL122169
Molecular formulaC24H25F2N3O2
IUPAC name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular weight425.48
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
Synonyms8-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-3-(4-fluorobenzyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Inchi KeyDCGNOAVYFWPWHT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25F2N3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2
PubChem CID10025437
ChEMBLCHEMBL122169
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56305Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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