| BioID | bio2638 |
|---|
| Name | OMIDENEPAG ISOPROPYL |
|---|
| ChEMBL ID | CHEMBL4297666 |
|---|
| Molecular Formula | C26H28N6O4S |
|---|
| Molecular Weight | 520.62 |
|---|
| Molecular Weight (Monoisotopic) | 520.1893 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DE-117|OMIDENEPAG ISOPROPYL|OMLONTI |
|---|
| Smiles | CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 |
|---|
| Inchi | InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30) |
|---|
| Inchi Key | VIQCWEGEHRBLAC-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -2.22 |
|---|
| Records Key | ['OMDI', 'OMIDENEPAG ISOPROPYL', 'OMIDENEPAG ISOPROPYL'] |
|---|
| Records Name | ['isopropyl (6-((4-(pyrazol-1-yl)benzyl)-(pyridin-3-ylsulfonyl)aminomethyl)pyridin-2-ylamino)acetate; Omidenepag isopropyl', 'OMIDENEPAG ISOPROPYL', 'OMIDENEPAG ISOPROPYL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
