| BioID | bio2000 |
|---|
| Name | CILANSETRON |
|---|
| ChEMBL ID | CHEMBL2103778 |
|---|
| Molecular Formula | C20H21N3O |
|---|
| Molecular Weight | 319.41 |
|---|
| Molecular Weight (Monoisotopic) | 319.1685 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CILANSETRON|KC-9946 |
|---|
| Smiles | Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O |
|---|
| Inchi | InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1 |
|---|
| Inchi Key | NCNFDKWULDWJDS-OAHLLOKOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 35.0 |
|---|
| Bioactivities | 44.0 |
|---|
| Np Likeness Score | -0.63 |
|---|
| Records Key | ['CILANSETRON', 'CILANSETRON', 'cilansetron', 'CILANSETRON'] |
|---|
| Records Name | ['CILANSETRON', 'CILANSETRON', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', 'CILANSETRON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
