Molecule Details
| InChIKey | XCTYEZWILVGTGO-ONGFQANTSA-N |
|---|---|
| Compound Name | (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-[[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]imino]imidazolidin-4-one |
| Canonical SMILES | C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC1=N/C(=C\c3ccc4ncsc4c3)C(=O)N1)C2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| Q9NR20 | DYRK4 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |