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Ligand

NameCHEMBL269176
Molecular formulaC23H32N4O2S
IUPAC name8-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
Molecular weight428.595
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsSCHEMBL10519058
BDBM50007498
8-[3-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]propyloxy]-8-azaspiro[4.5]decan-7-one
8-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decan-7-one(HCl)
Inchi KeyAAKNNWSCDBHEJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N4O2S/c28-21-18-23(8-3-4-9-23)10-12-27(21)29-17-5-11-25-13-15-26(16-14-25)22-19-6-1-2-7-20(19)30-24-22/h1-2,6-7H,3-5,8-18H2
PubChem CID14280601
ChEMBLCHEMBL269176
IUPHARN/A
BindingDB50007498
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2735-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
272D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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