Bioactive Compound Details
| BioID | bio2153 |
|---|---|
| Name | ZEPASTINE |
| ChEMBL ID | CHEMBL3989502 |
| Molecular Formula | C22H26N2O3S |
| Molecular Weight | 398.53 |
| Molecular Weight (Monoisotopic) | 398.1664 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ZEPASTINA|ZEPASTINE |
| Smiles | CN1[C@@H]2CC[C@H]1C[C@H](OC1c3ccccc3N(C)S(=O)(=O)c3ccccc31)C2 |
| Inchi | InChI=1S/C22H26N2O3S/c1-23-15-11-12-16(23)14-17(13-15)27-22-18-7-3-5-9-20(18)24(2)28(25,26)21-10-6-4-8-19(21)22/h3-10,15-17,22H,11-14H2,1-2H3/t15-,16+,17-,22? |
| Inchi Key | DWCWLRAGCYGTNO-JUULQMJNSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.11 |
| Records Key | ['ZEPASTINE'] |
| Records Name | ['ZEPASTINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
