Molecule Details
| InChIKey | RICZHSKONHYBRV-HNNXBMFYSA-N |
|---|---|
| Compound Name | diethylboranyl (2S)-2-amino-6-[[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioylamino]hexanoate |
| Canonical SMILES | CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | pIC50 | TTD_MultiTarget |