| BioID | bio2688 |
|---|
| Name | TAPRENEPAG ISOPROPYL |
|---|
| ChEMBL ID | CHEMBL2105692 |
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| Molecular Formula | C27H28N4O5S |
|---|
| Molecular Weight | 520.61 |
|---|
| Molecular Weight (Monoisotopic) | 520.178 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | PF-04217329|TAPRENEPAG ISOPROPYL |
|---|
| Smiles | CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 |
|---|
| Inchi | InChI=1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3 |
|---|
| Inchi Key | NVPXUFQLKWKBHK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -2.16 |
|---|
| Records Key | ['TAPRENEPAG ISOPROPYL', 'TAPRENEPAG ISOPROPYL', 'BDBM204992'] |
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| Records Name | ['TAPRENEPAG ISOPROPYL', 'TAPRENEPAG ISOPROPYL', 'US9249085, CP-544326'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
