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Name | Spiroxatrine |
---|---|
Molecular formula | C22H25N3O3 |
IUPAC name | 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
Molecular weight | 379.46 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | SR-01000075579 ( inverted exclamation markA)-8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triaza-spiro[4,5]decan-4-one 8-(1,4-Benzodioxan-2-ylmethyl)-1-phenyl-1,3,8-trianaspiro(4,5)decane-4-one BDBM50020192 CHEBI:91845 [ Show all ] |
Inchi Key | JVGBTTIJPBFLTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) |
PubChem CID | 5268 |
ChEMBL | CHEMBL300555 |
IUPHAR | 53 |
BindingDB | 50020192 |
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 |
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160835 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
160845 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
160843 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
160849 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
160854 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
160840 | 5-hydroxytryptamine receptor 2B | P30994 | Htr2b | Rattus norvegicus (Rat) | 479 |
160841 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
554088 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
554089 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
554090 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
160832 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
160842 | Alpha-2A adrenergic receptor | P18871 | ADRA2A | Sus scrofa (Pig) | 450 |
160844 | Alpha-2A adrenergic receptor | P22909 | Adra2a | Rattus norvegicus (Rat) | 450 |
160851 | Alpha-2A adrenergic receptor | Q28838 | ADRA2A | Bos taurus (Bovine) | 452 |
160834 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
160838 | Alpha-2B adrenergic receptor | O77715 | ADRA2B | Didelphis virginiana (North American opossum) | 382 |
160839 | Alpha-2B adrenergic receptor | P19328 | Adra2b | Rattus norvegicus (Rat) | 453 |
160853 | Alpha-2B adrenergic receptor | O77830 | ADRA2B | Oryctolagus cuniculus (Rabbit) | 394 |
160833 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
160837 | Alpha-2C adrenergic receptor | P22086 | Adra2c | Rattus norvegicus (Rat) | 458 |
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