| BioID | bio3318 |
|---|
| Name | DECOGLURANT |
|---|
| ChEMBL ID | CHEMBL3301593 |
|---|
| Molecular Formula | C21H11F6N5 |
|---|
| Molecular Weight | 447.34 |
|---|
| Molecular Weight (Monoisotopic) | 447.0919 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DECOGLURANT|Decoglurant|RG1578|RO-4995819|RO4995819 |
|---|
| Smiles | Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1 |
|---|
| Inchi | InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29) |
|---|
| Inchi Key | DMJHZVARRXJSEG-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.37 |
|---|
| Records Key | ['DECOGLURANT', 'COVC-2818585234', 'DECOGLURANT'] |
|---|
| Records Name | ['DECOGLURANT', 'DECOGLURANT', 'DECOGLURANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
