Molecule Details
| InChIKey | NCNRHFGMJRPRSK-MDZDMXLPSA-N |
|---|---|
| Compound Name | Belinostat |
| Canonical SMILES | O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.88 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05015 |
|---|---|
| Drug Name | Belinostat |
| CAS Number | 866323-14-0 |
| Groups | approved investigational |
| ATC Codes | L01XH04 |
| Description | Belinostat is a novel agent that inhibits the enzyme histone deacetylase (HDAC) with a sulfonamide-hydroxamide structure. It was developed as an orphan drug to target hematological malignancies and solid tumors by TopoTarget. The safety and efficacy of belinostat is currently being evaluated for use... |
Categories: Amides Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cancer immunotherapy Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (weak) Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Histone Deacetylase Inhibitors Histone deacetylase (HDAC) inhibitors Hydroxy Acids Hydroxylamines Immunosuppressive Agents Immunotherapy Myelosuppressive Agents Narrow Therapeutic Index Drugs P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Sulfones Sulfur Compounds UGT1A1 Substrates UGT1A1 Substrates with a Narrow Therapeutic Index
Cross-references: BindingDB: 25150 ChEBI: 61076 CHEMBL408513 ChemSpider: 5293831 PDB: 5OG PubChem:6918638 PubChem:347827703 RxCUI: 1543543 Wikipedia: Belinostat ZINC: ZINC000003818726
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 9.1 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.1 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 9.1 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.8 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.6 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q7K6A1 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00850 | 6.7 | IC50 | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q13547 | HDAC1 | Histone deacetylase | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |