Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00390 ...
Drug Name Digoxin
Molecular Weight 780.9385
Molecular Formula C41H64O14
CAS Number 20830-75-5
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
External Links
DRUGBANK DB00390
T3DB T3D2670
PubChem Compound 2724385
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 2.37 - 2.37 - http://www.t3db.ca/toxins/T3D2670
Boiling Point 931.6 ℃ 931.6 ℃ https://www.lookchem.com/Digoxin/
Melting Point 247.5 ℃ 230-265 ℃ https://monographs.iarc.fr/wp-content/uploads/2018/06/mono108-13.pdf
Water Solubility 64.8 mg/L 64.8 mg/L https://monographs.iarc.fr/wp-content/uploads/2018/06/mono108-13.pdf
pKa -3.0 - -3,7.15 - https://monographs.iarc.fr/wp-content/uploads/2018/06/mono108-13.pdf
pKa 7.15 - -3,7.15 - DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Absorption 75.0 % 70-80 % PO, oral; DRUGBANK
AUC 12.5 ng/ml 12.5±2.38 ng/ml combination drug use; DRUGBANK
Bioavailability 70.0 % 50-90 % PO, oral; DRUGBANK
Bioavailability 100.0 % 100.0 % Capsule, PO, Oral; DRUGBANK
Bioavailability 70.0 % 70±13 % The Pharmacological Basis of Therapeutics
C Max 1.3 ng/ml 1.32±0.18 ng/ml combination drug use; DRUGBANK
C Max 1.4 ng/ml 1.4±0.7 ng/ml PO, oral; heart failure; The Pharmacological Basis of Therapeutics
C Max 3.7 ng/ml 3.7±1.0 ng/ml PO, oral; heart failure; The Pharmacological Basis of Therapeutics
T Max 1.0 h 1 h combination drug use; DRUGBANK
T Max 2.0 h 1-3 h PO, oral; heart failure; The Pharmacological Basis of Therapeutics
Metabolic 13.0 % 13 % DRUGBANK
Clearance 3.1 L/h/m2 88±44 ml/min/1.73m2 Average clearance; intravenous injection, IV; DRUGBANK
Clearance 1.8 L/h/m2 53.0 ml/min/1.73m2 Average clearance; intravenous injection, IV; Elderly; DRUGBANK
Clearance 2.9 L/h/m2 83.0 ml/min/1.73m2 Average clearance; intravenous injection, IV; young; DRUGBANK
Clearance 0.10 L/h/kg 1.7 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 487.5 L 475-500 L Apparent volume of distribution; Age ↓ ; DRUGBANK
Volume of Distribution 4.1 L/kg 4.1 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 42.0 h 1.5-2 day normal,healthy; DRUGBANK
Half-life 102.0 h 3.5-5 day patients; DRUGBANK
Half-life 39.0 h 39±13 h hyperthyroid, HTh ↓ ;RD, renal impairment, Renal disease，including uremia ↑ ;congestive heart disease ↑ ;LTh hypothyroid ↑ ;Obesity → ;Age ↑ ; The Pharmacological Basis of Therapeutics
Half-life 38.0 h 38 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 28.3 mg/kg 28270.0 ug/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 7.8 mg/kg 7.8 mg/kg PO, oral; mouse; T3DB
Toxicity TDLo 0.10 mg/kg 100.0 ug/kg PO, oral; human, homo sapiens;  Female, women; DRUGBANK
Toxicity TDLo 0.0750 mg/kg 75.0 ug/kg PO, oral; human, homo sapiens; Male, men; DRUGBANK
Eliminate Route 60.0 % 50-70 % Urinary excretion; Unchanged drug; DRUGBANK
Eliminate Route 60.0 % 60±11 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 25.0 % ~25 % DRUGBANK
Protein Binding 25.0 % 25±5 % RD, renal impairment, Renal disease，including uremia ↓ ; The Pharmacological Basis of Therapeutics

Maximum Dosage

Not Available

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1