Molecule Details
| InChIKey | BWDQBBCUWLSASG-MDZDMXLPSA-N |
|---|---|
| Compound Name | Dacinostat |
| Canonical SMILES | O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.99 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17034 |
|---|---|
| Drug Name | Dacinostat |
| CAS Number | 404951-53-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Dacinostat is a novel histone deacetylase inhibitor.[A253032] |
Categories: Amines Hydroxy Acids Hydroxylamines
Cross-references: BindingDB: 19428 CHEMBL356066 ChemSpider: 4949231 ZINC: ZINC000001494627
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.3 | pIC50 | TTD_MultiTarget |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.8 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.8 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.2 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |