Molecule Details
| InChIKey | WQBIOEFDDDEARX-CHWSQXEVSA-N |
|---|---|
| Compound Name | Bexlosteride |
| Canonical SMILES | CN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@H]21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.85 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19798 |
|---|---|
| Drug Name | Bexlosteride |
| CAS Number | 148905-78-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Bexlosteride is a small molecule drug. The usage of the INN stem '-steride' in the name indicates that Bexlosteride is a androgen/anabolic steroid. Bexlosteride has a monoisotopic molecular weight of 249.09 Da. |
Categories: 5-alpha Reductase Inhibitors Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Quinolines Steroid Synthesis Inhibitors
Cross-references: BindingDB: 50368782 CHEMBL24955
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 8.6 | pIC50 | TTD_MultiTarget |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 8.1 | IC50 | ChEMBL;BindingDB |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P18405 | SRD5A1 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | inhibitor | targets |