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Name | CHEMBL228940 |
---|---|
Molecular formula | C21H27ClN6O3 |
IUPAC name | 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-9H-purine-2,6,8-trione |
Molecular weight | 446.936 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | 7-{4-[4-(3-chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dimethyl-7,9-dihydro-3H-purine-2,6,8-trione BDBM50213572 |
Inchi Key | CGFQYESPMKJYLK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H27ClN6O3/c1-24-18-17(19(29)25(2)21(24)31)28(20(30)23-18)9-4-3-8-26-10-12-27(13-11-26)16-7-5-6-15(22)14-16/h5-7,14H,3-4,8-13H2,1-2H3,(H,23,30) |
PubChem CID | 44424670 |
ChEMBL | CHEMBL228940 |
IUPHAR | N/A |
BindingDB | 50213572 |
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 |
---|---|---|---|---|---|
41271 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
41272 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
41270 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
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