Bioactive Compound Details
| BioID | bio2379 |
|---|---|
| Name | NICOGRELATE |
| ChEMBL ID | CHEMBL2104720 |
| Molecular Formula | C17H21N3O2 |
| Molecular Weight | 299.37 |
| Molecular Weight (Monoisotopic) | 299.1634 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | NICOGRELATE|NICOGRELATO |
| Smiles | CCCCCC(/C=C/n1ccnc1)OC(=O)c1cccnc1 |
| Inchi | InChI=1S/C17H21N3O2/c1-2-3-4-7-16(8-11-20-12-10-19-14-20)22-17(21)15-6-5-9-18-13-15/h5-6,8-14,16H,2-4,7H2,1H3/b11-8+ |
| Inchi Key | KDFWKXZFYSRQSX-DHZHZOJOSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.01 |
| Records Key | ['NICOGRELATE'] |
| Records Name | ['NICOGRELATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
