Molecule Details
| InChIKey | QTHCAAFKVUWAFI-DJKKODMXSA-N |
|---|---|
| Compound Name | Pik-75 |
| Canonical SMILES | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17047 |
|---|---|
| Drug Name | PIK-75 |
| CAS Number | 945619-31-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | PIK-75 is a preferential p110 alpha/gamma PI3K inhibitor.[A253097] |
Categories: Amides Hydrazines Phosphatidylinositol 3-Kinases, antagonists & inhibitors Sulfones Sulfur Compounds
Cross-references: BindingDB: 25036 CHEMBL393525 ChemSpider: 8451267 PDB: F4N ZINC: ZINC000028652818
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.3 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.9 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.6 | Kd | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.6 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.4 | IC50 | ChEMBL;BindingDB |
| O00750 | PIK3C2B | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.4 | IC50 | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.3 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (3)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P42338 | PIK3CB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | inhibitor | targets |
| P48736 | PIK3CG | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | inhibitor | targets |
| P78527 | PRKDC | DNA-dependent protein kinase catalytic subunit | inhibitor | targets |