Molecule Details
| InChIKey | NSPJEEGGUBPIPW-MEXPMVNWSA-N |
|---|---|
| Compound Name | cyclo[Apm(OMe)(OMe)-Trp(OMe)-xiIle-D-Pip] |
| Canonical SMILES | CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(=O)OC)NC(=O)[C@H]2CCCCN2C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.1 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.1 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.1 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.1 | pIC50 | TTD_MultiTarget |