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Name | CHEMBL1945292 |
---|---|
Molecular formula | C21H27N3O4S |
IUPAC name | 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(2-methoxyethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one |
Molecular weight | 417.524 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | 1.2 |
Synonyms | BDBM50419660 SCHEMBL1799537 |
Inchi Key | BGLYKONMLBFSGK-SFHVURJKSA-N |
Inchi ID | InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 |
PubChem CID | 24901283 |
ChEMBL | CHEMBL1945292 |
IUPHAR | N/A |
BindingDB | 50419660 |
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 |
---|---|---|---|---|---|
23117 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
23116 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
23114 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
23118 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
23115 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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