Molecule Details
| InChIKey | CZWJLLBPWLUINU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 10,14-Dimethyl-9-oxo-3-(trifluoromethyl)-4,5,10,13,14,19,21-heptazapentacyclo[15.5.2.12,5.012,16.020,23]pentacosa-1(22),2(25),3,12,15,17(24),18,20(23)-octaene-15-carbonitrile |
| Canonical SMILES | CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P45985 | MAP2K4 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q6P2M8 | PNCK | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |