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Name | CHEMBL3342855 |
---|---|
Molecular formula | C19H28N2O5S |
IUPAC name | 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8lambda6-thiaspiro[4.5]decane 8,8-dioxide |
Molecular weight | 396.502 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 1.2 |
Synonyms | BDBM50099439 |
Inchi Key | BQWXWYVQIVCGBP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H28N2O5S/c1-24-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-25-19(26-16)6-12-27(22,23)13-7-19/h2-5,16H,6-15H2,1H3 |
PubChem CID | 118716702 |
ChEMBL | CHEMBL3342855 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
442872 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
442868 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
442869 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
442866 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
442867 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
442870 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
442871 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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