Molecule Details
| InChIKey | SHIBSTMRCDJXLN-KCZCNTNESA-N |
|---|---|
| Compound Name | Digoxigenin |
| Canonical SMILES | C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.59 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03671 |
|---|---|
| Drug Name | Digoxigenin |
| CAS Number | 1672-46-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Digoxigenin is a cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh. |
Categories: Cardanolides Cardenolides Cardiac Glycosides Digoxin and derivatives Fused-Ring Compounds Glycosides Steroids
Cross-references: BindingDB: 225707 ChEBI: 42098 CHEMBL1153 ChemSpider: 14728 PDB: DOG PubChem:15478 PubChem:46509019 Wikipedia: Digoxigenin ZINC: ZINC000003982471
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50993 | ATP1A2 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.9 | Ki | BindingDB |
| P05023 | ATP1A1 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.9 | Ki | BindingDB |
| Q6ZQN7 | SLCO4C1 | Homo sapiens | Human | PF07648 PF03137 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9HYR3 | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | Pathogen | PF12680 | 6.3 | Kd | BindingDB |