Bioactive Compound Details
| BioID | bio2175 |
|---|---|
| Name | IZUMEROGANT |
| ChEMBL ID | CHEMBL5314467 |
| Molecular Formula | C22H18ClF4N5O2 |
| Molecular Weight | 495.86 |
| Molecular Weight (Monoisotopic) | 495.1085 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | IZUMEROGANT |
| Smiles | CC(C)(O)CCn1ncc(-c2onc(-c3c(F)cccc3Cl)c2-c2ncccn2)c1C(F)(F)F |
| Inchi | InChI=1S/C22H18ClF4N5O2/c1-21(2,33)7-10-32-19(22(25,26)27)12(11-30-32)18-16(20-28-8-4-9-29-20)17(31-34-18)15-13(23)5-3-6-14(15)24/h3-6,8-9,11,33H,7,10H2,1-2H3 |
| Inchi Key | MRJLIFZIFUEXQG-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.35 |
| Records Key | ['IZUMEROGANT'] |
| Records Name | ['IZUMEROGANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
