Molecule Details
| InChIKey | WHJIHZSXTQRCNX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Aum-302 |
| Canonical SMILES | COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18114 |
|---|---|
| Drug Name | AUM-302 |
| CAS Number | 1414455-21-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Enzyme Inhibitors Protein Kinase Inhibitors Sulfur Compounds
Cross-references: CHEMBL4878958
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.9 | Ki | ChEMBL |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.9 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 9.8 | Ki | ChEMBL;BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 9.6 | Ki | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.5 | Ki | ChEMBL |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 9.1 | Kd | ChEMBL;BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.1 | IC50 | ChEMBL;BindingDB |