Basic Information

Drug ID DDPD05154 ...
Drug Name Pretomanid
Molecular Weight 359.2574
Molecular Formula C14H12F3N3O5
CAS Number 187235-37-6
SMILES [O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC1=CC=C(OC(F)(F)F)C=C1
External Links
DRUGBANK DB05154
PubChem Compound 456199

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability 27.6 - 27.6 - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4139342/
Log P 2.75 - 2.75 - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4139342/
Boiling Point 462.3 462.3±55.0 http://www.chemspider.com/Chemical-Structure.401693.html
Water Solubility 1000.0 mg/L <1 mg/ml https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4139342/
pKa 7.0 - 7 - https://www.researchgate.net/publication/310833979_Simultaneous_HPLC_assay_for_pretomanid_PA-824_moxifloxacin_and_pyrazinamide_in_an_inhaler_formulation_for_drug-resistant_tuberculosis

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
AUC 28100.0 ng.h/ml 28.1 ug.h/ml PO, oral; fasting; DRUGBANK
AUC 51600.0 ng.h/ml 51.6 ug.h/ml PO, oral; food; DRUGBANK
C Max 1700.0 ng/ml 1.7 ug/ml Oral single dose; DRUGBANK
C Max 1100.0 ng/ml 1.1 ug/ml Oral single dose; different study; DRUGBANK
T Max 4.5 h 4-5 h PO, oral; food; fasting; DRUGBANK
Metabolic 20.0 % 20 % DRUGBANK
Clearance 4.8 L/h 4.8±0.2 L/h DRUGBANK
Clearance 7.6 L/h 7.6 L/h Oral single dose; fasting; DRUGBANK
Clearance 3.9 L/h 3.9 L/h Oral single dose; food; DRUGBANK
Volume of Distribution 130.0 L 130±5 L DRUGBANK
Volume of Distribution 180.0 L 180±51.3 L normal,healthy; fasting; DRUGBANK
Volume of Distribution 97.0 L 97.0±17.2 L normal,healthy; food; DRUGBANK
Half-life 17.2 h 16.9-17.4 h elimination half-life; normal,healthy; DRUGBANK
Half-life 18.0 h 18 h DRUGBANK
Eliminate Route 53.0 % ~53 % Urinary excretion; PO, oral; Male, men; adults; normal,healthy; human, homo sapiens; DRUGBANK
Eliminate Route 1.0 % ~1 % Urinary excretion; PO, oral; Male, men; adults; normal,healthy; human, homo sapiens; Unchanged drug; DRUGBANK
Protein Binding 86.4 % 86.4 % plasma proteins; DRUGBANK

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