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Ligand

NameCHEMBL122019
Molecular formulaC24H24F3N3O2
IUPAC name3-[(2,4-difluorophenyl)methyl]-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular weight443.47
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
Synonyms8-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-3-(2,4-difluorobenzyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Inchi KeyDPDRJMPETZAXAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24F3N3O2/c25-18-3-4-22-20(11-18)16(13-28-22)5-8-29-9-6-24(7-10-29)15-30(23(31)32-24)14-17-1-2-19(26)12-21(17)27/h1-4,11-13,28H,5-10,14-15H2
PubChem CID10321179
ChEMBLCHEMBL122019
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
65562Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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