Bioactive Compound Details
| BioID | bio2237 |
|---|---|
| Name | OXMETIDINE |
| ChEMBL ID | CHEMBL2110657 |
| Molecular Formula | C19H21N5O3S |
| Molecular Weight | 399.48 |
| Molecular Weight (Monoisotopic) | 399.1365 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | OXMETIDINA|OXMETIDINE |
| Smiles | Cc1[nH]cnc1CSCCNc1nc(=O)c(Cc2ccc3c(c2)OCO3)c[nH]1 |
| Inchi | InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25) |
| Inchi Key | YTBDPHYVGACIPC-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 21.0 |
| Np Likeness Score | -0.79 |
| Records Key | ['OXMETIDINE', 'COVC-1214580020'] |
| Records Name | ['OXMETIDINE', 'OXMETIDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
