Bioactive Compound Details
| BioID | bio2046 |
|---|---|
| Name | ASOPRISNIL ECAMATE |
| ChEMBL ID | CHEMBL2107728 |
| Molecular Formula | C31H40N2O5 |
| Molecular Weight | 520.67 |
| Molecular Weight (Monoisotopic) | 520.2937 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ASOPRISNIL ECAMATE|ECAMATE D'ASOPRISNIL|ECAMATO DE ASOPRISNILO|J 956|J-956 |
| Smiles | CCNC(=O)O/N=C/c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@]3(COC)OC)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 |
| Inchi | InChI=1S/C31H40N2O5/c1-5-32-29(35)38-33-18-20-6-8-21(9-7-20)26-17-30(2)27(14-15-31(30,37-4)19-36-3)25-12-10-22-16-23(34)11-13-24(22)28(25)26/h6-9,16,18,25-27H,5,10-15,17,19H2,1-4H3,(H,32,35)/b33-18+/t25-,26+,27-,30-,31+/m0/s1 |
| Inchi Key | XMCOWVOJIVSMEO-RCCUTSCYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.77 |
| Records Key | ['ASOPRISNIL ECAMATE'] |
| Records Name | ['ASOPRISNIL ECAMATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
