| BioID | bio2751 |
|---|
| Name | DANICOPAN |
|---|
| ChEMBL ID | CHEMBL4250860 |
|---|
| Molecular Formula | C26H23BrFN7O3 |
|---|
| Molecular Weight | 580.42 |
|---|
| Molecular Weight (Monoisotopic) | 579.103 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACH-0144471|ACH-4471|DANICOPAN |
|---|
| Smiles | CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12 |
|---|
| Inchi | InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1 |
|---|
| Inchi Key | PIBARDGJJAGJAJ-NQIIRXRSSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -1.41 |
|---|
| Records Key | ['36; ACH-4471', 'DANICOPAN', 'DANICOPAN'] |
|---|
| Records Name | ['(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide', 'DANICOPAN', 'DANICOPAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
