Molecule Details
| InChIKey | QDLHCMPXEPAAMD-QAIWCSMKSA-N |
|---|---|
| Compound Name | Wortmannin |
| Canonical SMILES | COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08059 |
|---|---|
| Drug Name | Wortmannin |
| CAS Number | 19545-26-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Wortmannin is a steroid metabolite of _Penicillium funiculosum_ and _Talaromyces wortmannii_ fungi. This drug acts as a nonspecific, covalent inhibitor of phosphoinositide 3-kinase enzymes (PI3Ks). |
Categories: Androstadienes Androstanes Androstenes Anti-Infective Agents Antidepressive Agents Antifungal Agents Central Nervous System Depressants Enzyme Inhibitors Fused-Ring Compounds Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Immunologic Factors Immunosuppressive Agents Insulin Antagonists Protein Kinase Inhibitors Radiation-Sensitizing Agents Serotonin Agents Serotonin Receptor Antagonists Steroids
Cross-references: BindingDB: 15234 ChEBI: 52289 CHEMBL428496 ChemSpider: 276037 C15181 PDB: KWT PubChem:312145 PubChem:99444530 Wikipedia: Wortmannin ZINC: ZINC000001619592
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8NEB9 | PIK3C3 | Homo sapiens | Human | PF00454 PF00792 PF00613 | 8.4 | IC50 | ChEMBL |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.2 | IC50 | ChEMBL;BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.0 | IC50 | ChEMBL;BindingDB |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 7.9 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.9 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.9 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.8 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.4 | pIC50 | TTD_MultiTarget |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 7.3 | IC50 | ChEMBL;BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 6.9 | Ki | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P42356 | PI4KA | Homo sapiens | Human | PF00454 PF00613 PF19274 | 6.5 | IC50 | ChEMBL |
| Q9UBF8 | PI4KB | Homo sapiens | Human | PF00454 PF21245 | 6.4 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P27986 | PIK3R1 | Phosphatidylinositol 3-kinase regulatory subunit alpha | binder | targets |
| P42336 | PIK3CA | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | binder | targets |
| P53350 | PLK1 | Serine/threonine-protein kinase PLK1 | binder | targets |
| O00329 | PIK3CD | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | inhibitor | targets |
| P48736 | PIK3CG | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | inhibitor | targets |