Molecule Details
| InChIKey | JHDKZFFAIZKUCU-ZRDIBKRKSA-N |
|---|---|
| Compound Name | Pracinostat |
| Canonical SMILES | CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.32 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05223 |
|---|---|
| Drug Name | Pracinostat |
| CAS Number | 929016-96-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Pracinostat is a novel HDAC inhibitor with improved in vivo properties compared to other HDAC inhibitors currently in clinical trials, allowing oral dosing. Data demonstrate that Pracinostat is a potent and effective anti-tumor drug with potential as an oral therapy for a variety of human hematologi... |
Categories: Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Histone Deacetylase Inhibitors Moderate Risk QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 50353227 ChEBI: 95071 CHEMBL1851943 ChemSpider: 25027185 PubChem:49855250 PubChem:347827719 Wikipedia: Pracinostat ZINC: ZINC000043152558
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | Ki | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.7 | Ki | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.6 | Ki | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.6 | Ki | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.5 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.4 | Ki | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | Ki | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.2 | IC50 | ChEMBL |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.0 | Ki | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.6 | pIC50 | TTD_MultiTarget |