GEMFIBROZIL

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C10AB04
UNII Q8X02027X3
EPA CompTox DTXSID0020652

Structure

InChI Key HEMJJKBWTPKOJG-UHFFFAOYSA-N
Smiles Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
InChI
InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22O3
Molecular Weight 250.34
AlogP 3.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST DailyMed Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 14-18
Secreted protein
- - 100 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 14.4-71.16
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 56.21-71.16
Homo sapiens
- - 100 - 0-100
Rattus norvegicus
- - - - -36-36

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Slovenia

Cross References

Resources Reference
ChEBI 5296
ChEMBL CHEMBL457
DrugBank DB01241
DrugCentral 1285
FDA SRS Q8X02027X3
Human Metabolome Database HMDB0015371
Guide to Pharmacology 3439
KEGG C07020
PDB 4TX
PharmGKB PA449750
PubChem 3463
SureChEMBL SCHEMBL4813
ZINC ZINC000001530641
CONTENTS