Bioactive Compound Details
| BioID | bio2009 |
|---|---|
| Name | DAVUNETIDE |
| ChEMBL ID | CHEMBL2103826 |
| Molecular Formula | C36H60N10O12 |
| Molecular Weight | 824.93 |
| Molecular Weight (Monoisotopic) | 824.4392 |
| Type | Protein |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AL-108|AL-208|DAVUNETIDA|DAVUNETIDE |
| Smiles | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O |
| Inchi | InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1 |
| Inchi Key | DWLTUUXCVGVRAV-XWRHUKJGSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.04 |
| Records Key | ['DAVUNETIDE', 'DAVUNETIDE', '15; NAP'] |
| Records Name | ['DAVUNETIDE', 'DAVUNETIDE', 'Davunetide'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
