Molecule Details
| InChIKey | WSTLKKSKCYMNAA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[(4-fluorophenyl)methyl-[7-(hydroxyamino)-7-oxoheptyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide |
| Canonical SMILES | O=C(CCCCCCN(Cc1ccc(F)cc1)c1ncc(C(=O)NCCCn2ccnc2)s1)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.2 | IC50 | ChEMBL;BindingDB |
| P43490 | NAMPT | Homo sapiens | Human | PF18127 PF04095 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL;BindingDB |