Bioactive Compound Details
| BioID | bio2460 |
|---|---|
| Name | VELUSETRAG HYDROCHLORIDE |
| ChEMBL ID | CHEMBL2105660 |
| Molecular Formula | C25H37ClN4O5S |
| Molecular Weight | 541.11 |
| Molecular Weight (Monoisotopic) | 504.2406 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | VELUSETRAG HCL|VELUSETRAG HYDROCHLORIDE |
| 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.Cl |
| Inchi | InChI=1S/C25H36N4O5S.ClH/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);1H/t18-,19+,20-,21-;/m0./s1 |
| Inchi Key | BLIKSWRONBYRDD-ULYYJTHRSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.17 |
| Records Key | ['VELUSETRAG HYDROCHLORIDE'] |
| Records Name | ['VELUSETRAG HYDROCHLORIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
