Molecule Details
| InChIKey | VAZAPHZUAVEOMC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tacedinaline |
| Canonical SMILES | CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12291 |
|---|---|
| Drug Name | Tacedinaline |
| CAS Number | 112522-64-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tacedinaline has been used in trials studying the treatment of Lung Cancer, Multiple Myeloma, and Pancreatic Cancer. |
Categories: Acids, Carbocyclic Amides Amines Aniline Compounds Antineoplastic Agents Benzene Derivatives Benzoates Diamines Enzyme Inhibitors Histone Deacetylase Inhibitors Polyamines
Cross-references: BindingDB: 19422 ChEBI: 90195 CHEMBL235191 ChemSpider: 2644 PubChem:2746 PubChem:347828559 ZINC: ZINC000000003803
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.3 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.3 | pIC50 | TTD_MultiTarget |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.7 | IC50 | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.6 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |