Bioactive Compound Details
| BioID | bio2803 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL253364 |
| Molecular Formula | C47H60N14O7 |
| Molecular Weight | 933.09 |
| Molecular Weight (Monoisotopic) | 932.4769 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | MK-9 |
| Smiles | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |
| Inchi | InChI=1S/C47H60N14O7/c48-33-16-17-40(62)53-18-6-5-12-35(41(49)63)57-45(67)38(22-30-24-55-34-11-4-3-10-32(30)34)61-43(65)36(13-7-19-54-47(50)51)58-44(66)37(21-27-14-15-28-8-1-2-9-29(28)20-27)60-46(68)39(59-42(33)64)23-31-25-52-26-56-31/h1-4,8-11,14-15,20,24-26,33,35-39,55H,5-7,12-13,16-19,21-23,48H2,(H2,49,63)(H,52,56)(H,53,62)(H,57,67)(H,58,66)(H,59,64)(H,60,68)(H,61,65)(H4,50,51,54)/t33-,35-,36-,37-,38+,39-/m0/s1 |
| Inchi Key | VFKSOTPIQWLTBE-DIEXDCLBSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.31 |
| Records Key | ['MK-9'] |
| Records Name | ['MK-9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
