| BioID | bio2971 |
|---|
| Name | ATOGEPANT |
|---|
| ChEMBL ID | CHEMBL3991065 |
|---|
| Molecular Formula | C29H23F6N5O3 |
|---|
| Molecular Weight | 603.52 |
|---|
| Molecular Weight (Monoisotopic) | 603.1705 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AGN-241689|ATOGEPANT|MK-8031|Qulipta |
|---|
| Smiles | C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F |
|---|
| Inchi | InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1 |
|---|
| Inchi Key | QIVUCLWGARAQIO-OLIXTKCUSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.61 |
|---|
| Records Key | ['ATOGEPANT', 'ATOGEPANT', '26; MK-8031', 'ATOGEPANT', 'ATOGEPANT'] |
|---|
| Records Name | ['ATOGEPANT', 'ATOGEPANT', 'Atogepant', 'ATOGEPANT', 'ATOGEPANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
