Molecule Details
| InChIKey | ZYTXTXAMMDTYDQ-DGEXFFLYSA-N |
|---|---|
| Compound Name | Vamorolone |
| Canonical SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15114 |
|---|---|
| Drug Name | Vamorolone |
| CAS Number | 13209-41-1 |
| Groups | approved investigational |
| ATC Codes | H02AB18 |
| Description | Vamorolone is a novel and fully synthetic glucocorticoid developed by Santhera Pharmaceuticals. It is used to manage inflammation and immune dysregulation in patients with Duchenne muscular dystrophy (DMD), a neuromuscular disorder characterized by the insidious regression of neuromuscular function ... |
Categories: Adrenal Cortex Hormones Anti-Inflammatory Agents Corticosteroids Corticosteroids for Systemic Use Corticosteroids for Systemic Use, Plain Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Fused-Ring Compounds Glucocorticoids Pregnadienes Pregnanes Steroids Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins UGT1A3 substrates UGT2B17 substrates UGT2B7 substrates
Cross-references: BindingDB: 50432396 CHEMBL2348780 ChemSpider: 2299335 RxCUI: 2669799 Wikipedia: Vamorolone ZINC: ZINC000033650317
Target Activities (3)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| O75795 | O75795 | UDP-glucuronosyltransferase 2B17 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P04150 | NR3C1 | Glucocorticoid receptor | agonist | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | antagonist | targets |