Molecule Details
| InChIKey | RTKIYFITIVXBLE-QEQCGCAPSA-N |
|---|---|
| Compound Name | Trichostatin A |
| Canonical SMILES | CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.16 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04297 |
|---|---|
| Drug Name | Trichostatin A |
| CAS Number | 58880-19-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amines Anti-Infective Agents Antifungal Agents Antineoplastic Agents Benzene Derivatives Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Histone Deacetylase Inhibitors Hydroxy Acids Hydroxylamines Protein Synthesis Inhibitors Pyrans
Cross-references: BindingDB: 50005711 ChEBI: 46024 CHEMBL99 ChemSpider: 392575 PDB: TSN PubChem:444732 PubChem:46506659 Wikipedia: Trichostatin_A ZINC: ZINC000100014731
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 9.9 | pIC50 | TTD_MultiTarget |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 9.8 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.8 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 9.8 | pIC50 | TTD_MultiTarget |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 9.3 | Ki | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.3 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 7.6 | IC50 | ChEMBL |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| P11473 | VDR | Homo sapiens | Human | PF00104 PF00105 | 7.1 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q15393 | SF3B3 | Homo sapiens | Human | PF10433 PF23726 PF03178 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q14790 | CASP8 | Caspase-8 | activator | targets |
| O67135 | O67135 | Acetoin utilization protein AcuC | binder | targets |
| Q8WUI4 | HDAC7 | Histone deacetylase 7 | binder | targets |
| Q9BY41 | HDAC8 | Histone deacetylase 8 | binder | targets |
| P01375 | TNF | Tumor necrosis factor | downregulator | targets |
| P34995 | PTGER1 | Prostaglandin E2 Receptors | regulator | targets |