Molecule Details
| InChIKey | GHVPEVBTYVRTHA-UHFFFAOYSA-N |
|---|---|
| Compound Name | DPP IV/hCA II-IN-1 |
| Canonical SMILES | NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 7.3 | IC50 | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |