Bioactive Compound Details
| BioID | bio3231 |
|---|---|
| Name | SUBASUMSTAT |
| ChEMBL ID | CHEMBL5095044 |
| Molecular Formula | C25H28ClN5O5S2 |
| Molecular Weight | 578.12 |
| Molecular Weight (Monoisotopic) | 577.122 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SUBASUMSTAT|SUMOYLATION INHIBITOR TAK-981|TAK-981 |
| Smiles | Cc1sc(C(=O)c2cncnc2N[C@@H]2CC[C@H](COS(N)(=O)=O)[C@H]2O)cc1[C@@H]1NCCc2ccc(Cl)cc21 |
| Inchi | InChI=1S/C25H28ClN5O5S2/c1-13-17(22-18-8-16(26)4-2-14(18)6-7-29-22)9-21(37-13)24(33)19-10-28-12-30-25(19)31-20-5-3-15(23(20)32)11-36-38(27,34)35/h2,4,8-10,12,15,20,22-23,29,32H,3,5-7,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,20-,22+,23-/m1/s1 |
| Inchi Key | IAKPXYFFBURVCV-JWDANJKUSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.31 |
| Records Key | ['SUBASUMSTAT', 'SUBASUMSTAT'] |
| Records Name | ['SUBASUMSTAT', 'SUBASUMSTAT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
