Molecule Details
| InChIKey | LXRZVMYMQHNYJB-UNXOBOICSA-N |
|---|---|
| Compound Name | Subasumstat |
| Canonical SMILES | Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1[C@@H]1NCCc2ccc(Cl)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16406 |
|---|---|
| Drug Name | Subasumstat |
| CAS Number | 1858276-04-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Subasumstat is under investigation in clinical trial NCT03648372 (A Study to Evaluate the Safety, Tolerability, Preliminary Efficacy and Pharmacokinetics (PK) of TAK-981 in Adult Participants With Advanced or Metastatic Solid Tumors or Relapsed/refractory Hematologic Malignancies and in a Subset Wit... |
Categories: Experimental Unapproved Treatments for COVID-19 Heterocyclic Compounds, Fused-Ring Sulfur Compounds
Cross-references: ChemSpider: 72380106
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9UBT2 | UBA2 | Homo sapiens | Human | PF00899 PF14732 PF16195 | 7.7 | IC50 | ChEMBL |
| Q9UBE0 | SAE1 | Homo sapiens | Human | PF00899 | 7.5 | IC50 | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q13564 | NAE1 | Homo sapiens | Human | PF00899 | 6.0 | IC50 | ChEMBL |
| Q8TBC4 | UBA3 | Homo sapiens | Human | PF08825 PF00899 | 6.0 | IC50 | ChEMBL;BindingDB |