Molecule Details
| InChIKey | WAEXFXRVDQXREF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vorinostat |
| Canonical SMILES | O=C(CCCCCCC(=O)Nc1ccccc1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.41 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02546 |
|---|---|
| Drug Name | Vorinostat |
| CAS Number | 149647-78-9 |
| Groups | approved investigational |
| ATC Codes | L01XH01 |
| Description | Vorinostat (rINN) or suberoylanilide hydroxamic acid (SAHA), is a drug currently under investigation for the treatment of cutaneous T cell lymphoma (CTCL), a type of skin cancer, to be used when the disease persists, gets worse, or comes back during or after treatment with other medicines. It is the... |
Categories: Amides Amines Anilides Aniline Compounds Antineoplastic Agents Antineoplastic and Immunomodulating Agents Enzyme Inhibitors Histone Deacetylase Inhibitors Histone deacetylase (HDAC) inhibitors Hydroxamic Acids Hydroxy Acids Hydroxylamines Hyperglycemia-Associated Agents Immunosuppressive Agents Myelosuppressive Agents Narrow Therapeutic Index Drugs Potential QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 19149 ChEBI: 45716 CHEMBL98 ChemSpider: 5120 Drugs Product Database (DPD): 20475 D06320 PDB: SHH PharmGKB: PA164748224 PubChem:5311 PubChem:46508989 RxCUI: 194337 Therapeutic Targets Database: DAP001082 Wikipedia: Vorinostat ZINC: ZINC000001543873
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 9.0 | pIC50 | TTD_MultiTarget |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.9 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.9 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.9 | pIC50 | TTD_MultiTarget |
| Q9P2K3 | RCOR3 | Homo sapiens | Human | PF01448 PF00249 PF20878 | 8.5 | Ki | ChEMBL |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.4 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.3 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.5 | IC50 | ChEMBL;BindingDB |
| P51843 | NR0B1 | Homo sapiens | Human | PF00104 PF14046 | 6.1 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q7K6A1 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00850 | 7.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O15379 | HDAC3 | Histone deacetylase 3 | inhibitor | targets |
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |
| Q92769 | HDAC2 | Histone deacetylase 2 | inhibitor | targets |
| Q9BY41 | HDAC8 | Histone deacetylase 8 | inhibitor | targets |
| Q9UBN7 | HDAC6 | Protein deacetylase HDAC6 | inhibitor | targets |