Molecule Details
| InChIKey | WZGZKOJPIUYGCY-BUHFOSPRSA-N |
|---|---|
| Compound Name | 3-[[(2E)-2-[4-(2-cyanoethylsulfanyl)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]sulfanyl]propanenitrile |
| Canonical SMILES | CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | pIC50 | TTD_MultiTarget |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 6.9 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q96LD8 | SENP8 | Homo sapiens | Human | PF02902 | 6.5 | IC50 | BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 6.9 | pIC50 | TTD_MultiTarget |