| BioID | bio1968 |
|---|
| Name | ELETRIPTAN |
|---|
| ChEMBL ID | CHEMBL1510 |
|---|
| Molecular Formula | C22H26N2O2S |
|---|
| Molecular Weight | 382.53 |
|---|
| Molecular Weight (Monoisotopic) | 382.1715 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ELETRIPTAN|Eletriptan|RELPAX|UK-116,044|UK-116,044-04 FREE BASE|UK-116,044-04 [AS HYDROBROMIDE)|UK-116044|UK-116044-04|UK-116044-04 FREE BASE |
|---|
| Smiles | CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 |
|---|
| Inchi | InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1 |
|---|
| Inchi Key | PWVXXGRKLHYWKM-LJQANCHMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 46.0 |
|---|
| Bioactivities | 99.0 |
|---|
| Np Likeness Score | -0.72 |
|---|
| Records Key | ['Eletriptan', 'ELETRIPTAN', '067, eletriptan', 'eletriptan', '32', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'SID50125841', 'Eletriptan', 'SID170465317', 'Eletriptan', 'ELETRIPTAN', 'Eletriptan', 'ELETRIPTAN', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'SID144206290', 'eletriptan', 'eletriptan', 'eletriptan', 'COVC-2826341848', 'ELETRIPTAN', 'Eletriptan', 'eletriptan', 'eletriptan'] |
|---|
| Records Name | ['Eletriptan', 'ELETRIPTAN', '(R)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole', 'eletriptan', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'SID50125841', 'Eletriptan', 'SID170465317', 'Eletriptan', 'ELETRIPTAN', 'Eletriptan', 'ELETRIPTAN', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'Eletriptan', 'SID144206290', 'eletriptan', 'eletriptan', 'eletriptan', 'ELETRIPTAN', 'ELETRIPTAN', 'Eletriptan', 'eletriptan', 'eletriptan'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
