Molecule Details
| InChIKey | CWLHKJWOLFDCHM-QGZVFWFLSA-N |
|---|---|
| Compound Name | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[[(3R)-1-(5-sulfamoyl-2-pyridinyl)pyrrolidin-3-yl]carbamothioylamino]benzoic acid |
| Canonical SMILES | NS(=O)(=O)c1ccc(N2CC[C@@H](NC(=S)Nc3ccc(C4c5ccc(O)cc5Oc5cc(O)ccc54)c(C(=O)O)c3)C2)nc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL |