| BioID | bio2194 |
|---|
| Name | ROCASTINE |
|---|
| ChEMBL ID | CHEMBL305775 |
|---|
| Molecular Formula | C13H19N3OS |
|---|
| Molecular Weight | 265.38 |
|---|
| Molecular Weight (Monoisotopic) | 265.1249 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ROCASTINA|ROCASTINE |
|---|
| Smiles | CN(C)CCC1CN(C)C(=S)c2cccnc2O1 |
|---|
| Inchi | InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3 |
|---|
| Inchi Key | DPPDPATYPQFYDL-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.85 |
|---|
| Records Key | ['64'] |
|---|
| Records Name | ['8-(2-Dimethylamino-ethyl)-6-methyl-7,8-dihydro-6H-9-oxa-1,6-diaza-benzocycloheptene-5-thione'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
