| BioID | bio2669 |
|---|
| Name | VEDACLIDINE |
|---|
| ChEMBL ID | CHEMBL136807 |
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| Molecular Formula | C13H21N3S2 |
|---|
| Molecular Weight | 283.47 |
|---|
| Molecular Weight (Monoisotopic) | 283.1177 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LY-297,802|LY-297802|LY297802|NNC 11-1053|NNC-11-1053|VEDACLIDINA|VEDACLIDINE|Vedaclidine |
|---|
| Smiles | CCCCSc1nsnc1C1CN2CCC1CC2 |
|---|
| Inchi | InChI=1S/C13H21N3S2/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3 |
|---|
| Inchi Key | WZZPXVURFDJHGI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.61 |
|---|
| Records Key | ['VEDACLIDINE', '2', '26'] |
|---|
| Records Name | ['VEDACLIDINE', '3-(4-Butylsulfanyl-[1,2,5]thiadiazol-3-yl)-1-aza-bicyclo[2.2.2]octane', '3-(4-Butylsulfanyl-[1,2,5]thiadiazol-3-yl)-1-aza-bicyclo[2.2.2]octane'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
