Molecule Details
| InChIKey | BNSPEWBMGVWZFC-UHFFFAOYSA-N |
|---|---|
| Compound Name | TTK inhibitor 3 |
| Canonical SMILES | CCc1cccc(CC)c1N1CCn2cc(-c3nc(Nc4ccc(N5CCC(C(=O)N6CC7(CN(C)C7)C6)CC5)cc4OC)nc4[nH]ccc34)cc2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P33981 | TTK | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9BXA7 | TSSK1B | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.6 | IC50 | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q96PF2 | TSSK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |