Molecule Details
InChIKeyLTMHDMANZUZIPE-PUGKRICDSA-N
Compound NameDigoxin
Canonical SMILESC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)10
Pfam Stratification Cross-Family
Avg pChEMBL6.74
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00390
Drug NameDigoxin
CAS Number20830-75-5
Groups approved investigational
ATC Codes C01AA05
DescriptionDigoxin is one of the oldest cardiovascular medications used today.[A178225] It is a common agent used to manage atrial fibrillation and the symptoms of heart failure.[A178234] Digoxin is classified as a cardiac glycoside and was initially approved by the FDA in 1954.[L9143] This drug originates fro...

Categories: Agents causing hyperkalemia Antiarrhythmic agents BSEP/ABCB11 Substrates BSEP/ABCB11 Substrates with a Narrow Therapeutic Index Bradycardia-Causing Agents Carbohydrates Cardanolides Cardenolides Cardiac Glycosides Cardiac Therapy Cardiotonic Agents Cardiovascular Agents Compounds used in a research, industrial, or household setting Digitalis Glycosides Digoxin and derivatives Digoxin, antagonists & inhibitors Digoxin, immunology Drugs that are Mainly Renally Excreted Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index Fused-Ring Compounds Glycosides Narrow Therapeutic Index Drugs OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Potential QTc-Prolonging Agents Protective Agents QTc Prolonging Agents
Cross-references: BindingDB: 46355 ChEBI: 4551 CHEMBL1751 ChemSpider: 2006532 Drugs Product Database (DPD): 6731 C06956 D00298 PDB: DGX PharmGKB: PA449319 PubChem:2724385 PubChem:46508524 RxCUI: 3407 Therapeutic Targets Database: DAP000744 Wikipedia: Digoxin ZINC: ZINC000242548690
Target Activities (10)
Target Gene Organism Category Pfam pChEMBL Type Source
P50993 ATP1A2 Homo sapiens Human PF13246 PF00689 PF00690 PF00122 7.2 Ki ChEMBL;BindingDB
P51449 RORC Homo sapiens Human PF00104 PF00105 7.0 Kd ChEMBL;BindingDB
P14415 ATP1B2 Homo sapiens Human PF00287 6.8 IC50 ChEMBL;BindingDB
P54709 ATP1B3 Homo sapiens Human PF00287 6.8 IC50 ChEMBL;BindingDB
P05023 ATP1A1 Homo sapiens Human PF13246 PF00689 PF00690 PF00122 6.6 IC50 ChEMBL;BindingDB
P05026 ATP1B1 Homo sapiens Human PF00287 6.6 IC50 ChEMBL
P13637 ATP1A3 Homo sapiens Human PF13246 PF00689 PF00690 PF00122 6.6 IC50 ChEMBL
P54710 FXYD2 Homo sapiens Human PF02038 6.6 IC50 ChEMBL
Q13733 ATP1A4 Homo sapiens Human PF13246 PF00689 PF00690 PF00122 6.6 IC50 ChEMBL
P0DTD1 rep Severe acute respiratory syndrome coronavirus 2 Pathogen PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 6.7 IC50 BindingDB
DrugBank Target Actions (18)
Target Gene Target Name Action Type
P05108 P05108 Cholesterol side-chain cleavage enzyme, mitochondrial inhibitor enzymes
P05023 ATP1A1 Sodium/potassium-transporting ATPase subunit alpha-1 inhibitor targets
P05026 ATP1B1 Sodium/potassium-transporting ATPase subunit beta-1 inhibitor targets
P13637 ATP1A3 Sodium/potassium-transporting ATPase subunit alpha-3 inhibitor targets
P14415 ATP1B2 Sodium/potassium-transporting ATPase subunit beta-2 inhibitor targets
P50993 ATP1A2 Sodium/potassium-transporting ATPase subunit alpha-2 inhibitor targets
P54709 ATP1B3 Sodium/potassium-transporting ATPase subunit beta-3 inhibitor targets
Q6ZQN7 SLCO4C1 Solute carrier organic anion transporter family member 4C1 modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
O95342 ABCB11 Bile salt export pump substrate transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 substrate transporters
Q6ZQN7 SLCO4C1 Solute carrier organic anion transporter family member 4C1 substrate transporters
Q86UW1 Q86UW1 Organic solute transporter subunit alpha substrate transporters
Q86UW2 Q86UW2 Organic solute transporter subunit beta substrate transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 substrate transporters