| BioID | bio3099 |
|---|
| Name | VELUSETRAG |
|---|
| ChEMBL ID | CHEMBL2087337 |
|---|
| Molecular Formula | C25H36N4O5S |
|---|
| Molecular Weight | 504.65 |
|---|
| Molecular Weight (Monoisotopic) | 504.2406 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | TD-5108|VELUSETRAG|Velusetrag |
|---|
| Smiles | CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21 |
|---|
| Inchi | InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18-,19+,20-,21-/m0/s1 |
|---|
| Inchi Key | HXLOHDZQBKCUCR-WOZUAGRISA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 38.0 |
|---|
| Np Likeness Score | -1.17 |
|---|
| Records Key | ['VELUSETRAG', '15, TD-5108', 'VELUSETRAG'] |
|---|
| Records Name | ['VELUSETRAG', 'Velusetrag', 'VELUSETRAG'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
