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Name | CHEMBL420184 |
---|---|
Molecular formula | C22H29N3O2S |
IUPAC name | 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one |
Molecular weight | 399.553 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | 1-[5-[4-(2-Methoxyphenyl)piperazinomethyl]-2-thienylmethyl]piperidine-2-one BDBM50116210 1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one |
Inchi Key | BTAVBIPIYWDCNO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3 |
PubChem CID | 18738387 |
ChEMBL | CHEMBL420184 |
IUPHAR | N/A |
BindingDB | 50116210 |
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 |
---|---|---|---|---|---|
32186 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
32188 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
32187 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
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