| BioID | bio2769 |
|---|
| Name | DONITRIPTAN |
|---|
| ChEMBL ID | CHEMBL1742428 |
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| Molecular Formula | C23H25N5O2 |
|---|
| Molecular Weight | 403.49 |
|---|
| Molecular Weight (Monoisotopic) | 403.2008 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | DONITRIPTAN HYDROCHLORIDE|Donitriptan|F-11356 |
|---|
| Smiles | N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1 |
|---|
| Inchi | InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2 |
|---|
| Inchi Key | SOHCKWZVTCTQBG-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.31 |
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| Records Key | ['DONITRIPTAN', 'donitriptan', 'DONITRIPTAN', 'DONITRIPTAN', 'donitriptan', 'donitriptan'] |
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| Records Name | ['DONITRIPTAN', 'donitriptan', 'DONITRIPTAN', 'DONITRIPTAN', 'donitriptan', 'donitriptan'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
