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

Basic Information

Drug ID DDPD14975 ...
Drug Name Voxelotor
Molecular Weight 337.379
Molecular Formula C19H19N3O3
CAS Number 1446321-46-5
SMILES CC(C)N1N=CC=C1C1=C(COC2=CC=CC(O)=C2C=O)C=CC=N1
External Links
DRUGBANK DB14975

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 2.85 - 2.85 - https://www.chemsrc.com/en/cas/1446321-46-5_1467959.html
Boiling Point 539.2 ℃ 539.2±50.0 ℃ https://www.chemsrc.com/en/cas/1446321-46-5_1467959.html
Melting Point 81.0 ℃ 80-82 ℃ http://drugapprovalsint.com/voxelotor/
pKa 7.67 - 7.67±0.10 - https://www.chemicalbook.com/ChemicalProductProperty_EN_CB73053893.htm

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
C Max 4950000.0 ug.h/ml 4950.0 ug.h/ml Oral multiple dose; DRUGBANK
C Max 9610000.0 ug.h/ml 9610.0 ug.h/ml Oral multiple dose; DRUGBANK
C Max 4000000.0 ug.h/ml 4000.0 ug.h/ml Oral multiple dose; DRUGBANK
T Max 2.0 h 2 h PO, oral; DRUGBANK
Clearance 6.7 L/h 6.7 L/h apparent clearance; PO, oral; DRUGBANK
Volume of Distribution 338.0 L 338.0 L Total volume of distribution; DRUGBANK
Volume of Distribution 72.2 L 72.2 L Total volume of distribution; DRUGBANK
Half-life 35.5 h 35.5 h elimination half-life; sickle cell disease; patients; DRUGBANK
Half-life 1440.0 h 60 day DRUGBANK
Half-life 50.0 h 50 h elimination half-life; sickle cell disease; patients; different study; DRUGBANK
Half-life 73.0 h 61-85 h elimination half-life; normal,healthy; patients; different study; DRUGBANK
Eliminate Route 62.6 % 62.6 % Faeces excretion; PO, oral; DRUGBANK
Eliminate Route 35.5 % 35.5 % Urinary excretion; PO, oral; DRUGBANK
Eliminate Route 20.8 % ~20.8 % Faeces excretion; PO, oral; Unchanged drug; DRUGBANK
Eliminate Route 0.0300 % ~0.03 % Urinary excretion; PO, oral; Unchanged drug; DRUGBANK
Protein Binding 99.8 % 99.8 % high protein binding; 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