Molecule Details
| InChIKey | QGZYDVAGYRLSKP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ricolinostat |
| Canonical SMILES | O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12376 |
|---|---|
| Drug Name | Ricolinostat |
| CAS Number | 1316214-52-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ricolinostat is under investigation for the treatment of Breast Carcinoma and Metastatic Breast Cancer. |
Categories: Amines Antineoplastic Agents Enzyme Inhibitors Histone Deacetylase Inhibitors Hydroxy Acids Hydroxylamines Moderate Risk QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 50439674 ChEBI: 95073 CHEMBL2364628 ChemSpider: 28536129 PDB: AH4 PubChem:53340666 PubChem:347828624 ZINC: ZINC000089630354
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.3 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL;BindingDB |