Molecule Details
| InChIKey | PRXXYMVLYKJITB-IZZDOVSWSA-N |
|---|---|
| Compound Name | Domatinostat |
| Canonical SMILES | Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17521 |
|---|---|
| Drug Name | Domatinostat |
| CAS Number | 910462-43-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates
Cross-references: BindingDB: 50470579 CHEMBL4283683 ZINC: ZINC000034851244
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.8 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |
| O60341 | KDM1A | Homo sapiens | Human | PF01593 PF04433 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13547 | HDAC1 | Histone deacetylase 1 | inhibitor | targets |