Molecule Details
| InChIKey | LAMIXXKAWNLXOC-INIZCTEOSA-N |
|---|---|
| Compound Name | Ar-42 |
| Canonical SMILES | CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.56 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12707 |
|---|---|
| Drug Name | AR-42 |
| CAS Number | 935881-37-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | AR-42 has been used in trials studying the treatment of Meningioma, Acoustic Neuroma, Testicular Lymphoma, Intraocular Lymphoma, and Vestibular Schwannoma, among others. |
Cross-references: BindingDB: 50475225 ChEBI: 188197 CHEMBL191482 ChemSpider: 5294039 PDB: QCP PubChem:6918848 PubChem:347828905 Wikipedia: Histone_deacetylase_inhibitor ZINC: ZINC000013671721
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.0 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.8 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.8 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.8 | pIC50 | TTD_MultiTarget |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.8 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.8 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.2 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL;BindingDB |