Molecule Details
| InChIKey | XNBWKNWCSWBFRL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-[[2-[1-(1-adamantyl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-N-hydroxyhexanamide |
| Canonical SMILES | CC(Nc1c(NCCCCCC(=O)NO)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.9 | Ki | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.4 | Ki | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.3 | Ki | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.2 | Ki | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.9 | Ki | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.9 | Ki | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.5 | Ki | ChEMBL |