Molecule Details
| InChIKey | FECGNJPYVFEKOD-VMPITWQZSA-N |
|---|---|
| Compound Name | Resminostat |
| Canonical SMILES | CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12392 |
|---|---|
| Drug Name | Resminostat |
| CAS Number | 864814-88-0 |
| Groups | investigational |
| ATC Codes | L01XH07 |
| Description | Resminostat has been used in trials studying the treatment of Sezary Syndrome, Mycosis fungoides, Hodgkin's Lymphoma, Hepatocellular Carcinoma, and Lymphoma, T-Cell, Cutaneous, among others. |
Categories: Amides Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Histone deacetylase (HDAC) inhibitors Hydroxy Acids Hydroxylamines Sulfones Sulfur Compounds
Cross-references: BindingDB: 50506236 CHEMBL4296717 ChemSpider: 9784710 PDB: P7D PubChem:11609955 PubChem:347828639 Wikipedia: Resminostat ZINC: ZINC000013983495
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |