Molecule Details
| InChIKey | MEJLVLMAJJRLCR-GCCNXGTGSA-N |
|---|---|
| Compound Name | Romidepsin reduced |
| Canonical SMILES | C/C=C1\NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.84 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.8 | pIC50 | TTD_MultiTarget |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.4 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.4 | pIC50 | TTD_MultiTarget |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.3 | IC50 | ChEMBL |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 8.3 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.6 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.1 | pIC50 | TTD_MultiTarget |