Molecule Details
| InChIKey | GISXTRIGVCKQBX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tinostamustine |
| Canonical SMILES | Cn1c(CCCCCCC(=O)NO)nc2cc(N(CCCl)CCCl)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15147 |
|---|---|
| Drug Name | Tinostamustine |
| CAS Number | 1236199-60-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tinostamustine is under investigation in clinical trial NCT03452930 (Tinostamustine With or Without Radiation Therapy in Treating Patients With Newly Diagnosed MGMT-Unmethylated Glioblastoma). |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: CHEMBL3989941 ChemSpider: 58171714
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 8.2 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.2 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.9 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.1 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.0 | IC50 | ChEMBL |