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Ligand

NameCHEMBL125001
Molecular formulaC25H28FN3O2
IUPAC name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular weight421.516
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
Synonyms8-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-3-(2-methylbenzyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Inchi KeyFATAFVXRPPSVMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28FN3O2/c1-18-4-2-3-5-20(18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-6-21(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3
PubChem CID10002284
ChEMBLCHEMBL125001
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
73776Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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