Molecule Details
| InChIKey | UGISTPKBCRPMAL-GFCCVEGCSA-N |
|---|---|
| Compound Name | 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea |
| Canonical SMILES | NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL |