PIOGLITAZONE

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Synonyms
Status
Molecule Category Free-form
ATC A10BG03
UNII X4OV71U42S
EPA CompTox DTXSID3037129

Structure

InChI Key HYAFETHFCAUJAY-UHFFFAOYSA-N
Smiles CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChI
InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N2O3S
Molecular Weight 356.45
AlogP 3.16
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 68.29
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- - - - 38
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 61
Enzyme Oxidoreductase
- 298 - 199.4-500 -
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 33.8-63.5
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
88-970 700-855 871 62-630 67.5-82.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -9.9-21.9
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 260-400 - - -
Unclassified protein
- - - 370 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
98-970 260-855 871 62-500 -9.9-82.6
Mus musculus
160-690 700 - - 10-69
Rattus norvegicus
- 700 - - -

Related Entries

Cross References

Resources Reference
ChEBI 8228
ChEMBL CHEMBL595
DrugBank DB01132
DrugCentral 2179
FDA SRS X4OV71U42S
Human Metabolome Database HMDB0015264
Guide to Pharmacology 2694
KEGG C07675
PharmGKB PA450970
PubChem 4829
SureChEMBL SCHEMBL4121
CONTENTS