Molecule Details
| InChIKey | SFDFKLDQKSPRHB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 20-Ethyl-17,23-dioxa-4,14,20,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione |
| Canonical SMILES | CCN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.0 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.0 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | pIC50 | TTD_MultiTarget |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | pIC50 | TTD_MultiTarget |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q13554 | CAMK2B | Homo sapiens | Human | PF08332 PF00069 | 6.1 | IC50 | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.1 | IC50 | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.1 | IC50 | ChEMBL |