| BioID | bio1998 |
|---|
| Name | ROXATIDINE |
|---|
| ChEMBL ID | CHEMBL4802233 |
|---|
| Molecular Formula | C17H26N2O3 |
|---|
| Molecular Weight | 306.41 |
|---|
| Molecular Weight (Monoisotopic) | 306.1943 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DESACETYL-TZU-0460|ROXATIDINA|ROXATIDINE|ROXIT |
|---|
| Smiles | O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1 |
|---|
| Inchi | InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21) |
|---|
| Inchi Key | BCCREUFCSIMJFS-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.23 |
|---|
| Records Key | ['ROXATIDINE', 'ROXATIDINE'] |
|---|
| Records Name | ['ROXATIDINE', 'ROXATIDINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
