| BioID | bio2656 |
|---|
| Name | ITASETRON |
|---|
| ChEMBL ID | CHEMBL2105109 |
|---|
| Molecular Formula | C16H20N4O2 |
|---|
| Molecular Weight | 300.36 |
|---|
| Molecular Weight (Monoisotopic) | 300.1586 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DAU-6215CL|DAU6215CL|ITASETRON|ITASETRON HYDROCHLORIDE HYDRATE|U-98079A |
|---|
| Smiles | CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)n1c(=O)[nH]c3ccccc31)C2 |
|---|
| Inchi | InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)/t10-,11+,12- |
|---|
| Inchi Key | RWXRJSRJIITQAK-ZSBIGDGJSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -0.62 |
|---|
| Records Key | ['ITASETRON', 'SID144206831', 'ITASETRON'] |
|---|
| Records Name | ['ITASETRON', 'SID144206831', 'ITASETRON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
