Molecule Details
| InChIKey | WNIDBXBLQFPAJA-VOTSOKGWSA-N |
|---|---|
| Compound Name | (2E)-N-Hydroxy-3-(4-((methyl(tricyclo(3.3.1.13,7)dec-1-ylmethyl)amino)methyl)phenyl)-2-propenamide |
| Canonical SMILES | CN(Cc1ccc(/C=C/C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14979 |
|---|---|
| Drug Name | Martinostat |
| CAS Number | 1629052-58-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Martinostat is under investigation in clinical trial NCT03721211 (Imaging With [11C]Martinostat in Breast Cancer). |
Categories: Amines Bridged-Ring Compounds Carbon Radioisotopes Cycloparaffins Hydroxy Acids Hydroxylamines
Cross-references: BindingDB: 323709 ChemSpider: 34987952 Wikipedia: Martinostat
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O15379 | HDAC3 | Histone deacetylase 3 | inhibitor | targets |
| P56524 | HDAC4 | Histone deacetylase 4 | inhibitor | targets |
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |
| Q8WUI4 | HDAC7 | Histone deacetylase 7 | inhibitor | targets |
| Q92769 | HDAC2 | Histone deacetylase 2 | inhibitor | targets |
| Q9BY41 | HDAC8 | Histone deacetylase 8 | inhibitor | targets |
| Q9UBN7 | HDAC6 | Protein deacetylase HDAC6 | inhibitor | targets |
| Q9UKV0 | HDAC9 | Histone deacetylase 9 | inhibitor | targets |
| Q9UQL6 | HDAC5 | Histone deacetylase 5 | inhibitor | targets |