Molecule Details
| InChIKey | UJIAQDJKSXQLIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | TG-100115 |
| Canonical SMILES | Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 38 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.64 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05552 |
|---|---|
| Drug Name | TG100-115 |
| CAS Number | 677297-51-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | An NSAID that inhibits PI-3K gamma and delta. |
Categories: Benzene Derivatives Heterocyclic Compounds, Fused-Ring Phosphatidylinositol 3-Kinases, antagonists & inhibitors
Cross-references: BindingDB: 25084 ChEBI: 94691 CHEMBL230011 ChemSpider: 8603140 PDB: B6J ZINC: ZINC000006718666
Target Activities (38)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75747 | PIK3C2G | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 8.5 | Kd | ChEMBL;BindingDB |
| O00750 | PIK3C2B | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 8.1 | Kd | ChEMBL;BindingDB |
| Q9BX84 | TRPM6 | Homo sapiens | Human | PF02816 PF00520 PF18139 PF25508 PF16519 | 8.1 | Kd | ChEMBL;BindingDB |
| P27707 | DCK | Homo sapiens | Human | PF01712 | 7.9 | Kd | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.4 | Kd | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.1 | Kd | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.1 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.0 | Kd | ChEMBL;BindingDB |
| Q8NI60 | COQ8A | Homo sapiens | Human | PF03109 | 7.0 | Kd | ChEMBL;BindingDB |
| P57078 | RIPK4 | Homo sapiens | Human | PF12796 PF13637 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.6 | IC50 | ChEMBL;BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.6 | IC50 | BindingDB |
| O60331 | PIP5K1C | Homo sapiens | Human | PF01504 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9UBF8 | PI4KB | Homo sapiens | Human | PF00454 PF21245 | 6.4 | Kd | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.4 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8TBX8 | PIP4K2C | Homo sapiens | Human | PF01504 | 6.3 | Kd | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Kd | ChEMBL;BindingDB |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | Kd | ChEMBL;BindingDB |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9BUB5 | MKNK1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.0 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Kd | ChEMBL;BindingDB |