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

Basic Information

Drug ID DDPD01104 ...
Drug Name Sertraline
Molecular Weight 306.23
Molecular Formula C17H17Cl2N
CAS Number 79617-96-2
SMILES CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
External Links
DRUGBANK DB01104
T3DB T3D2985
PubChem Compound 68617
PDR 474
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 5.51 - 5.51 - http://foodb.ca/compounds/FDB023583
Boiling Point 416.3 ℃ 416.3±45.0 ℃ http://www.chemspider.com/Chemical-Structure.61881.html
Melting Point 245.5 ℃ 245-246 ℃ https://www.trc-canada.com/product-detail/?CatNum=S280000&CAS=79559-97-0&Chemical_Name=Sertraline
Water Solubility 3.8 mg/L 3.8 mg/L http://www.inchem.org/documents/pims/pharm/pim177.htm
pKa 9.16 - 9.16 - https://www.ncbi.nlm.nih.gov/pubmed/16848750
Log S -6.3 - -6.3 - http://www.t3db.ca/toxins/T3D2985

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
AUC 456000.0 ng.h/ml 456.0 ug.h/ml PO, oral; different study; DRUGBANK
Bioavailability 44.0 % >44 % PO, oral; DRUGBANK
C Max 37.5 ng/ml 20-55 ug/L PO, oral; DRUGBANK
C Max 118.0 ng/ml 118±22 ng/ml PO, oral; Male, men; adults; normal,healthy; The Pharmacological Basis of Therapeutics
C Max 166.0 ng/ml 166±65 ng/ml PO, oral;  Female, women; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 6.5 h 4.5-8.4 h PO, oral; DRUGBANK
T Max 6.9 h 6.9±1.0 h PO, oral; Male, men; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 6.7 h 6.7±1.8 h PO, oral;  Female, women; adults; normal,healthy; The Pharmacological Basis of Therapeutics
Tss 168.0 h 1 week PO, oral; DRUGBANK
Clearance 1.1 L/h/kg 1.09±0.38 L/h/kg young; DRUGBANK
Clearance 1.4 L/h/kg 1.35±0.67 L/h/kg Elderly; DRUGBANK
Clearance 2.3 L/h/kg 38±14 ml/min/kg apparent clearance; Elderly ↓ ;Hepatic cirrhosis, cirr ↓ ; The Pharmacological Basis of Therapeutics
Volume of Distribution 20.0 L/kg >20 L/kg DRUGBANK
Half-life 26.0 h ~26 h elimination half-life; DRUGBANK
Half-life 29.0 h 22-36 h elimination half-life; different study; DRUGBANK
Half-life 23.0 h 23.0 h Hepatic cirrhosis, cirr ↑ ;Age ↑ ; The Pharmacological Basis of Therapeutics
Toxicity LD50 2000.0 mg/kg >2000 mg/kg Rattus, Rat; DRUGBANK
Toxicity LD50 483.5 mg/kg 419-548 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 1459.0 mg/kg 1327-1591 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Eliminate Route 13.0 % 12-14 % Faeces excretion; Unchanged drug; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 98.5 % ~98-99 % DRUGBANK
Protein Binding 98.5 % 98-99 % 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 200.0 mg/day 200 mg/day PO, oral Zoloft sertraline hydrochloride PDR
Max dose for adolescents 200.0 mg/day 200 mg/day PO, oral Zoloft sertraline hydrochloride PDR
Max dose for adults 200.0 mg/day 200 mg/day PO, oral Zoloft sertraline hydrochloride PDR
Max dose for geriatric 200.0 mg/day 200 mg/day PO, oral Zoloft sertraline hydrochloride PDR

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