Molecule Details
| InChIKey | BWEFXESTQVMUSV-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-hydroxy-4-[[14-methyl-5-(2-morpholin-4-ylethoxy)-13,15-dioxo-1-phenyl-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl]methyl]benzamide |
| Canonical SMILES | CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C(c3ccccc3)(C2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 9.0 | Ki | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.7 | Ki | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.6 | Ki | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.3 | Ki | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.1 | Ki | ChEMBL |