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Name | CHEMBL58702 |
---|---|
Molecular formula | C23H34N4O2 |
IUPAC name | 2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione |
Molecular weight | 398.551 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 2.6 |
Synonyms | 2-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-hexahydro-pyrido[1,2-a]pyrazine-1,4-dione BDBM50095822 4-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,4-diazabicyclo[4.4.0]decane-2,5-dione |
Inchi Key | ACBRSXOTZHFOPE-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 10572962 |
ChEMBL | CHEMBL58702 |
IUPHAR | N/A |
BindingDB | 50095822 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1411 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
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