Molecule Details
| InChIKey | NREURQUIJSGJMZ-HNNXBMFYSA-N |
|---|---|
| Compound Name | tert-butyl N-[(1S)-1-(cyclohexylcarbamoyl)-6-sulfanylhexyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.4 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.4 | pIC50 | TTD_MultiTarget |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.4 | IC50 | ChEMBL;BindingDB |