Molecule Details
| InChIKey | NETXMUIMUZJUTB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Apabetalone |
| Canonical SMILES | COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12000 |
|---|---|
| Drug Name | Apabetalone |
| CAS Number | 1044870-39-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Apabetalone has been investigated for the treatment of Diabetes, Atherosclerosis, and Coronary Artery Disease. |
Categories: Heterocyclic Compounds, Fused-Ring Quinazolines
Cross-references: BindingDB: 50103503 CHEMBL2393130 ChemSpider: 25069708 PDB: 1K0 PubChem:24871506 PubChem:347828319 Wikipedia: Apabetalone ZINC: ZINC000043199551
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 6.7 | IC50 | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 6.6 | Kd | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60885 | BRD4 | Bromodomain-containing protein 4 | modulator | targets |