Bioactive Compound Details
| BioID | bio3001 |
|---|---|
| Name | SELATOGREL |
| ChEMBL ID | CHEMBL4297589 |
| Molecular Formula | C28H39N6O8P |
| Molecular Weight | 618.63 |
| Molecular Weight (Monoisotopic) | 618.2567 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ACT-246475|SELATOGREL |
| Smiles | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 |
| Inchi | InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1 |
| Inchi Key | FYXHWMQPCJOJCH-GMAHTHKFSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.0 |
| Records Key | ['SELATOGREL'] |
| Records Name | ['SELATOGREL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
