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Ligand

NameCHEMBL14010
Molecular formulaC24H28N2O4S
IUPAC name2-[4-(5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Molecular weight440.558
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50043661
2-[4-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1-c]pyridin-2-yl)-butyl]-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
2-[4-[(5-Methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-c]pyridin)-2-yl]butyl]-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
Inchi KeyDDRLEZIXSWVAIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N2O4S/c1-30-21-9-6-7-17-15-18-16-25(14-11-19(18)23(17)21)12-4-5-13-26-24(27)20-8-2-3-10-22(20)31(26,28)29/h2-3,6-10,18-19H,4-5,11-16H2,1H3
PubChem CID44269070
ChEMBLCHEMBL14010
IUPHARN/A
BindingDB50043661
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
573815-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
573825-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386

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