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Ligand

NameCHEMBL12868
Molecular formulaC20H26N2O2S
IUPAC name3-[4-(4-methylpiperidin-1-yl)butyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Molecular weight358.5
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50403785
2-[4-(4-Methylpiperidino)butyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Inchi KeyDOGKOAYINOKDKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N2O2S/c1-16-10-14-21(15-11-16)12-2-3-13-22-18-8-4-6-17-7-5-9-19(20(17)18)25(22,23)24/h4-9,16H,2-3,10-15H2,1H3
PubChem CID11199151
ChEMBLCHEMBL12868
IUPHARN/A
BindingDB50403785
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
649595-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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