Molecule Details
| InChIKey | CFMYXEVWODSLAX-QOZOJKKESA-N |
|---|---|
| Compound Name | Tetrodotoxin |
| Canonical SMILES | NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UQD0 | SCN8A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.6 | IC50 | ChEMBL;BindingDB |
| P35498 | SCN1A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9NY46 | SCN3A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q15858 | SCN9A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.2 | IC50 | ChEMBL;BindingDB |
| P35499 | SCN4A | Homo sapiens | Human | PF00520 PF24609 PF06512 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q01118 | SCN7A | Homo sapiens | Human | PF00520 PF24609 PF06512 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q14524 | SCN5A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.0 | IC50 | ChEMBL;BindingDB |