Molecule Details
| InChIKey | DORZPJWJOBMQKC-UHFFFAOYSA-N |
|---|---|
| Compound Name | (3-(4-Imino-3,5,12-triazatetracyclo(9.7.0.0^(2,7).0^(13,18))octadeca-1(11),2,6,13,15,17-hexaen-16-yl)prop-2-yn-1-yl)dimethylamine |
| Canonical SMILES | CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y2I7 | PIKFYVE | Homo sapiens | Human | PF00118 PF00610 PF01363 PF01504 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | IC50 | ChEMBL |
| Q86YV6 | MYLK4 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |