Molecule Details
| InChIKey | VLIUIBXPEDFJRF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Citarinostat |
| Canonical SMILES | O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15449 |
|---|---|
| Drug Name | Citarinostat |
| CAS Number | 1316215-12-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Citarinostat is under investigation in clinical trial NCT02886065 (A Study of PVX-410, a Cancer Vaccine, and Citarinostat +/- Lenalidomide for Smoldering MM). |
Categories: Antineoplastic Agents Enzyme Inhibitors Histone Deacetylase Inhibitors
Cross-references: BindingDB: 110036 CHEMBL3693786 ChemSpider: 32055291 PDB: X4U ZINC: ZINC000098023187
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.5 | 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 |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Protein deacetylase HDAC6 | inhibitor | targets |