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

Basic Information

Drug ID DDPD01026 ...
Drug Name Ketoconazole
Molecular Weight 531.431
Molecular Formula C26H28Cl2N4O4
CAS Number 65277-42-1
SMILES CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
External Links
DRUGBANK DB01026
T3DB T3D2961
PubChem Compound 3823
PDR 1198
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 4.35 - 4.35 - SANGSTER (1993)
Melting Point 146.0 ℃ 146 ℃ U.S. Patent 4,144,346.

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Bioavailability 76.0 % 76 % DRUGBANK
C Max 3050.0 ng/ml 2.5-3.6 mcg/ml Oral single dose; DRUGBANK
C Max 1700579.2 ng/ml 3.2(1.4-4.5) mM PO, oral; superficial mycotic infection; The Pharmacological Basis of Therapeutics
T Max 2.5 h 1-4 h Oral single dose; DRUGBANK
T Max 2.0 h 1-3 h PO, oral; superficial mycotic infection; The Pharmacological Basis of Therapeutics
Clearance 8.7 L/h 8.66 L/h DRUGBANK
Clearance 0.50 L/h/kg 8.4±4.1 ml/min/kg apparent clearance; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.36 L/kg 0.36 L/kg DRUGBANK
Volume of Distribution 8.4 L/kg 8.4±4.1 L/kg Apparent volume of distribution; The Pharmacological Basis of Therapeutics
Half-life 2.0 h 2 h elimination half-life; DRUGBANK
Half-life 8.0 h 8 h terminal half-life; DRUGBANK
Half-life 3.3 h 3.3±1.0 h increasing doses ↑ ; The Pharmacological Basis of Therapeutics
Half-life 8.0 h ~8 h Single dose; The Pharmacological Basis of Therapeutics
Toxicity LD50 86.0 mg/kg 86.0 mg/kg PO, oral; Rattus, Rat; T3DB
Toxicity LD50 44.0 mg/kg 44.0 mg/kg intravenous injection, IV; mouse; T3DB
Toxicity LD50 702.0 mg/kg 702.0 mg/kg PO, oral; mouse; T3DB
Eliminate Route 95.0 % >95 % lung excretion; DRUGBANK
Eliminate Route 3.0 % 2-4 % Urinary excretion; Unchanged drug; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 84.0 % ~84 % plasma proteins; DRUGBANK
Protein Binding 99.0 % 99±0.1 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 400.0 mg/day 400 mg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for children 4.95 mg/kg/day 4.95 mg/kg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for adolescents 400.0 mg/day 400 mg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for adolescents 4.95 mg/kg/day 4.95 mg/kg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for adults 400.0 mg/day 400 mg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for adults 1200.0 mg/day 1200 mg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for elderly 400.0 mg/day 400 mg/day PO, oral Nizoral 2% ketoconazole PDR
Max dose for elderly 1200.0 mg/day 1200 mg/day PO, oral Nizoral 2% ketoconazole PDR

Drug Property Radar Chart

...

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