Molecule Details
| InChIKey | AVLYNJZZQYEFEA-XDJHFCHBSA-N |
|---|---|
| Compound Name | 2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile |
| Canonical SMILES | N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccnc2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.8 | pIC50 | TTD_MultiTarget |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |