| BioID | bio3162 |
|---|
| Name | FELCISETRAG |
|---|
| ChEMBL ID | CHEMBL2402904 |
|---|
| Molecular Formula | C25H37N5O3 |
|---|
| Molecular Weight | 455.6 |
|---|
| Molecular Weight (Monoisotopic) | 455.2896 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | FELCISETRAG|TAK-954|TD-8954|THRX-149699 |
|---|
| Smiles | COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1 |
|---|
| Inchi | InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28) |
|---|
| Inchi Key | MZOITCJKGUIQEI-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 20.0 |
|---|
| Bioactivities | 45.0 |
|---|
| Np Likeness Score | -1.34 |
|---|
| Records Key | ['FELCISETRAG', '18, TD-8954', 'TD-8954', 'FELCISETRAG'] |
|---|
| Records Name | ['FELCISETRAG', 'methyl 4-((4-((2-isopropyl-1H-benzo[d]imidazole-4-carboxamido)methyl)piperidin-1-yl)methyl)piperidine-1-carboxylate', 'methyl 4-((4-((2-isopropyl-1H-benzo[d]imidazole-4-carboxamido)methyl)piperidin-1-yl)methyl)piperidine-1-carboxylate', 'FELCISETRAG'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
