| BioID | bio1941 |
|---|
| Name | DIANICLINE |
|---|
| ChEMBL ID | CHEMBL187927 |
|---|
| Molecular Formula | C13H16N2O |
|---|
| Molecular Weight | 216.28 |
|---|
| Molecular Weight (Monoisotopic) | 216.1263 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DIANICLINA|DIANICLINE|SSR-591813|SSR591813 |
|---|
| Smiles | c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3 |
|---|
| Inchi | InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1 |
|---|
| Inchi Key | SUPRUPHAEXPGPF-QWHCGFSZSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 0.89 |
|---|
| Records Key | ['33', 'DIANICLINE', 'DIANICLINE'] |
|---|
| Records Name | ['(1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.0^{1,10}.0^{3,8}]hexadeca-3,5,7-triene', 'DIANICLINE', 'DIANICLINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
