| BioID | bio2027 |
|---|
| Name | LEFRADAFIBAN |
|---|
| ChEMBL ID | CHEMBL2105032 |
|---|
| Molecular Formula | C23H25N3O6 |
|---|
| Molecular Weight | 439.47 |
|---|
| Molecular Weight (Monoisotopic) | 439.1743 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LEFRADAFIBAN |
|---|
| Smiles | COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)NC1=O |
|---|
| Inchi | InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1 |
|---|
| Inchi Key | PGCFXITVMNNKON-ROUUACIJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 0.04 |
|---|
| Records Key | ['BIBU-104 (Lefradafiban)', 'LEFRADAFIBAN', 'LEFRADAFIBAN'] |
|---|
| Records Name | [{5-[4'-(Imino-methoxycarbonylamino-methyl)-biphenyl-4-yloxymethyl]-2-oxo-pyrrolidin-3-yl}-acetic acid methyl ester (BIBU-104 (Lefradafiban))", 'LEFRADAFIBAN', 'LEFRADAFIBAN']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
