Molecule Details
| InChIKey | MXWDSZWTBOCWBK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide |
| Canonical SMILES | CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.35 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02565 |
|---|---|
| Drug Name | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide |
| CAS Number | 251456-60-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Amines Anilides Aniline Compounds Antineoplastic Agents Enzyme Inhibitors Histone Deacetylase Inhibitors Hydroxamic Acids Hydroxy Acids Hydroxylamines
Cross-references: BindingDB: 50082665 ChEBI: 125562 CHEMBL140000 ChemSpider: 3856 PDB: B3N PubChem:3994 PubChem:46507995 ZINC: ZINC000012502280
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.3 | pIC50 | TTD_MultiTarget |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.3 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.7 | IC50 | ChEMBL;BindingDB |
| P09960 | LTA4H | Homo sapiens | Human | PF09127 PF01433 PF17900 | 6.3 | IC50 | ChEMBL;BindingDB |