| BioID | bio2974 |
|---|
| Name | TEMANOGREL |
|---|
| ChEMBL ID | CHEMBL1084617 |
|---|
| Molecular Formula | C24H28N4O4 |
|---|
| Molecular Weight | 436.51 |
|---|
| Molecular Weight (Monoisotopic) | 436.2111 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | APD-791|APD791|TEMANOGREL|Temanogrel |
|---|
| Smiles | COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1 |
|---|
| Inchi | InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29) |
|---|
| Inchi Key | ZEOQUKRCASTCFR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 37.0 |
|---|
| Np Likeness Score | -1.86 |
|---|
| Records Key | ['TEMANOGREL', '10k', 'TEMANOGREL'] |
|---|
| Records Name | ['TEMANOGREL', '3-Methoxy-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide', 'TEMANOGREL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
