Molecule Details
| InChIKey | SZMJVTADHFNAIS-BJMVGYQFSA-N |
|---|---|
| Compound Name | Tucidinostat |
| Canonical SMILES | Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06334 |
|---|---|
| Drug Name | Tucidinostat |
| CAS Number | 1616493-44-7 |
| Groups | investigational |
| ATC Codes | L01XH06 |
| Description | nan |
Categories: Acids, Carbocyclic Amides Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Benzoates Histone Deacetylase Inhibitors Histone deacetylase (HDAC) inhibitors Moderate Risk QTc-Prolonging Agents Pyridines QTc Prolonging Agents
Cross-references: ChEBI: 135918 CHEMBL3621988 ChemSpider: 48058599
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 6.8 | IC50 | ChEMBL |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.8 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 6.8 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 6.8 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.7 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.5 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13547 | HDAC1 | Histone deacetylase 1 | modulator | targets |