Molecule Details
| InChIKey | IKCHZDNFNSMGAW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[3-[2-[2-[2-[2-[4-[[3-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide |
| Canonical SMILES | Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCC(=O)Nc5ccc(C(=O)NCCCCCCC(=O)NO)cc5)nn4)c3)s2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.3 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.8 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.7 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q8IXJ6 | SIRT2 | Homo sapiens | Human | PF02146 | 6.3 | IC50 | ChEMBL |