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Ligand

NameCHEMBL58702
Molecular formulaC23H34N4O2
IUPAC name2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
Molecular weight398.551
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50095822
2-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-hexahydro-pyrido[1,2-a]pyrazine-1,4-dione
4-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,4-diazabicyclo[4.4.0]decane-2,5-dione
Inchi KeyACBRSXOTZHFOPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H34N4O2/c1-19-8-2-3-9-20(19)25-16-14-24(15-17-25)11-6-7-12-26-18-22(28)27-13-5-4-10-21(27)23(26)29/h2-3,8-9,21H,4-7,10-18H2,1H3
PubChem CID10572962
ChEMBLCHEMBL58702
IUPHARN/A
BindingDB50095822
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
14115-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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