Bioactive Compound Details
| BioID | bio2865 |
|---|---|
| Name | ZELNECIRNON |
| ChEMBL ID | CHEMBL5314496 |
| Molecular Formula | C27H34Cl3N5O2 |
| Molecular Weight | 566.96 |
| Molecular Weight (Monoisotopic) | 565.1778 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ZELNECIRNON |
| Smiles | Cc1nc(N2CC([C@H]3CCCN([C@H]4C[C@](C)(C(=O)O)C4)C3)C2)nc(N[C@H](C)c2ccc(Cl)cc2Cl)c1Cl |
| Inchi | InChI=1S/C27H34Cl3N5O2/c1-15(21-7-6-19(28)9-22(21)29)31-24-23(30)16(2)32-26(33-24)35-13-18(14-35)17-5-4-8-34(12-17)20-10-27(3,11-20)25(36)37/h6-7,9,15,17-18,20H,4-5,8,10-14H2,1-3H3,(H,36,37)(H,31,32,33)/t15-,17+,20-,27-/m1/s1 |
| Inchi Key | ANPSFQZLPNWKHR-BPZFHHOVSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.6 |
| Records Key | ['ZELNECIRNON'] |
| Records Name | ['ZELNECIRNON'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
