Molecule Details
| InChIKey | WQDOEYAJPUSQCH-RXYILKCJSA-N |
|---|---|
| Compound Name | (3S,6S)-6-amino-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-6-benzyl-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]pyridazine-3-carboxamide |
| Canonical SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 9.2 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |
| P00750 | PLAT | Homo sapiens | Human | PF00008 PF00039 PF00051 PF00089 | 6.3 | IC50 | ChEMBL;BindingDB |
| P00749 | PLAU | Homo sapiens | Human | PF00051 PF00089 | 6.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |