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

Basic Information

Drug ID DDPD00482 ...
Drug Name Celecoxib
Molecular Weight 381.372
Molecular Formula C17H14F3N3O2S
CAS Number 169590-42-5
SMILES CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F
External Links
DRUGBANK DB00482
T3DB T3D4771
PubChem Compound 2662
PDR 532
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability 13.0 - 13.0 - https://www.tandfonline.com/doi/full/10.3109/10717544.2014.916767
Log P 3.53 - 3.53 - https://s3-us-west-2.amazonaws.com/drugbank/msds/DB00482.pdf?1530223672
Boiling Point 529.0 ℃ 529.0±60.0 ℃ http://www.chemspider.com/Chemical-Structure.2562.html
Melting Point 158.0 ℃ 157-159 ℃ https://www.trc-canada.com/product-detail/?C251000
pKa 11.1 - 11.1 - https://www.pfizermedicalinformation.com/en-us/celebrex/description

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
C Max 705.0 ng/ml 705.0 ng/ml DRUGBANK
C Max 705000.0 ng/ml 705±268 mcg/ml Oral single dose; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 3.0 h 3 h Oral single dose; DRUGBANK
T Max 2.8 h 2.8±1.0 h Oral single dose; normal,healthy; The Pharmacological Basis of Therapeutics
Tss 120.0 h 5.0 day Oral multiple dose; DRUGBANK
Clearance 27.7 L/h 27.7 L/h Total clearance; Oral single dose; normal,healthy; RD, renal impairment, Renal disease，including uremia ↓ ; DRUGBANK
Clearance 0.40 L/h/kg 6.60±1.85 ml/min/kg apparent clearance; CYP2D6 genetic polymorphisms; normal,healthy; Elderly ↓ ;hepatopathy，LD ↓ ;RD, renal impairment, Renal disease，including uremia ↑ ; The Pharmacological Basis of Therapeutics
Volume of Distribution 429.0 L 429.0 L Apparent volume of distribution; at steady state; DRUGBANK
Volume of Distribution 455.0 L 455±166 L DRUGBANK
Volume of Distribution 6.1 L/kg 6.12±2.08 L/kg CYP2D6 genetic polymorphisms; normal,healthy; The Pharmacological Basis of Therapeutics
Half-life 11.0 h ~11 h effective half-life; Single dose; normal,healthy; DRUGBANK
Half-life 11.2 h 11.2±3.47 h normal,healthy; The Pharmacological Basis of Therapeutics
Toxicity TDLo 5.7 mg/kg 5.71 mg/kg PO, oral; human, homo sapiens; DRUGBANK
Eliminate Route 57.0 % ~57 % Faeces excretion; PO, oral; DRUGBANK
Eliminate Route 3.0 % <3 % Urinary excretion; Faeces excretion; Unchanged drug; DRUGBANK
Eliminate Route 3.0 % <3 % Urinary excretion; normal,healthy; human, homo sapiens; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 97.0 % 97 % DRUGBANK
Protein Binding 97.0 % ~97 % normal,healthy; human, homo sapiens; 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 Celebrex celecoxib PDR
Max dose for children 100.0 mg/day 100 mg/day PO, oral Celebrex celecoxib PDR
Max dose for adolescents 200.0 mg/day 200 mg/day PO, oral Celebrex celecoxib PDR
Max dose for adults 800.0 mg/day 800 mg/day PO, oral Celebrex celecoxib PDR
Max dose for elderly 400.0 mg/day 400 mg/day PO, oral Celebrex celecoxib 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