Molecule Details
| InChIKey | IPPCIRPZZWGBBN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[4-[(4-Sulfamoylphenyl)sulfamoyl]phenyl]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiourea |
| Canonical SMILES | CC1(C)OB(c2ccc(N/C(S)=N/c3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)OC1(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |