| BioID | bio2035 |
|---|
| Name | FRADAFIBAN |
|---|
| ChEMBL ID | CHEMBL3085474 |
|---|
| Molecular Formula | C20H21N3O4 |
|---|
| Molecular Weight | 367.41 |
|---|
| Molecular Weight (Monoisotopic) | 367.1532 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | FRADAFIBAN |
|---|
| Smiles | N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1 |
|---|
| Inchi | InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1 |
|---|
| Inchi Key | IKZACQMAVUIGPY-HOTGVXAUSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 0.35 |
|---|
| Records Key | ['BIBU-52 (Fradafiban)', 'FRADAFIBAN'] |
|---|
| Records Name | [[5-(4'-Carbamimidoyl-biphenyl-4-yloxymethyl)-2-oxo-pyrrolidin-3-yl]-acetic acid (BIBU-52 (Fradafiban))", 'FRADAFIBAN']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
