Molecule Details
| InChIKey | UXSXKHYWWZVLIV-QDSDBPGOSA-N |
|---|---|
| Compound Name | cyclo[Abu(2,3-dehydro)-Val-ObAla(3R-Pr)-D-Val-D-Ala] |
| Canonical SMILES | C/C=C1\NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](CCC)OC(=O)[C@H](C(C)C)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.4 | Ki | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.2 | Ki | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.1 | Ki | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.1 | Ki | ChEMBL |