| BioID | bio3041 |
|---|
| Name | MAPRACORAT |
|---|
| ChEMBL ID | CHEMBL2103876 |
|---|
| Molecular Formula | C25H26F4N2O2 |
|---|
| Molecular Weight | 462.49 |
|---|
| Molecular Weight (Monoisotopic) | 462.193 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BOL-303242-X|BOL-303242X|MAPRACORAT|Mapracorat|ZK 245186|ZK-245186|ZK245186 |
|---|
| Smiles | Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1 |
|---|
| Inchi | InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1 |
|---|
| Inchi Key | VJGFOYBQOIPQFY-XMMPIXPASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.83 |
|---|
| Records Key | ['3664', 'MAPRACORAT', 'MAPRACORAT'] |
|---|
| Records Name | [None, 'MAPRACORAT', 'MAPRACORAT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
