Molecule Details
| InChIKey | HRNLUBSXIHFDHP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Mocetinostat |
| Canonical SMILES | Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11830 |
|---|---|
| Drug Name | Mocetinostat |
| CAS Number | 726169-73-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Mocetinostat has been used in trials studying the treatment of Lymphoma, Urothelial Carcinoma, Relapsed and Refractory, Myelodysplastic Syndrome, and Metastatic Leiomyosarcoma, among others. |
Categories: Acids, Carbocyclic Amides Antineoplastic Agents Benzene Derivatives Benzoates Enzyme Inhibitors Histone Deacetylase Inhibitors Moderate Risk QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 24624 ChEBI: 94525 CHEMBL272980 ChemSpider: 8041206 PubChem:9865515 PubChem:347828176 Wikipedia: Mocetinostat ZINC: ZINC000013986811
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.1 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.1 | pIC50 | TTD_MultiTarget |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 7.7 | IC50 | ChEMBL |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.3 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |