Molecule Details
| InChIKey | LEDMBBYIVRLZAS-GFCCVEGCSA-N |
|---|---|
| Compound Name | (R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl)-2-(phenylsulfonamido)propanamide |
| Canonical SMILES | C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(c2ccc(F)cc2)CS1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.3 | Ki | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.5 | pIC50 | TTD_MultiTarget |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | Ki | ChEMBL;BindingDB |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | Ki | ChEMBL;BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.4 | Ki | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.5 | pIC50 | TTD_MultiTarget |