Bioactive Compound Details
| BioID | bio2675 |
|---|---|
| Name | CARAFIBAN |
| ChEMBL ID | CHEMBL17313 |
| Molecular Formula | C24H27N5O5 |
| Molecular Weight | 465.51 |
| Molecular Weight (Monoisotopic) | 465.2012 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CARAFIBAN|Carafiban |
| Smiles | CCOC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(=N)N)cc2)C1=O)c1ccccc1 |
| Inchi | InChI=1S/C24H27N5O5/c1-3-34-20(31)13-18(15-7-5-4-6-8-15)27-19(30)14-29-22(32)24(2,28-23(29)33)17-11-9-16(10-12-17)21(25)26/h4-12,18H,3,13-14H2,1-2H3,(H3,25,26)(H,27,30)(H,28,33)/t18-,24-/m0/s1 |
| Inchi Key | SSGOEPXWNBXKPQ-UUOWRZLLSA-N |
| Molecular Species | BASE |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | -1.0 |
| Records Key | ['14', 'CARAFIBAN'] |
| Records Name | ['(S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-3-phenyl-propionic acid ethyl ester', 'CARAFIBAN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
