Molecule Details
InChIKeySHIBSTMRCDJXLN-KCZCNTNESA-N
Compound NameDigoxigenin
Canonical SMILESC[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 pChEMBL6.59
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB03671
Drug NameDigoxigenin
CAS Number1672-46-4
Groups experimental
ATC Codes nan
DescriptionDigoxigenin 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