Molecule Details
| InChIKey | VDGJMVWFIKQWDZ-UHFFFAOYSA-O |
|---|---|
| Compound Name | 2,4,6-trimethyl-1-(5-sulfamoyl-3-m-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate |
| Canonical SMILES | Cc1cccc(-c2c(C(=O)N[n+]3c(C)cc(C)cc3C)[nH]c3ccc(S(N)(=O)=O)cc23)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 8.8 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | pIC50 | TTD_MultiTarget |
| Q5AJ71 | NCE103 | Candida albicans (strain SC5314 / ATCC MYA-2876) | Pathogen | PF00484 | 7.2 | Ki | ChEMBL;BindingDB |
| P96878 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 PF00916 | 7.0 | Ki | ChEMBL;BindingDB | |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL;BindingDB |