ANTIPYRINE

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Synonyms
Status
Molecule Category Free-form
UNII T3CHA1B51H
EPA CompTox DTXSID6021117

Structure

InChI Key VEQOALNAAJBPNY-UHFFFAOYSA-N
Smiles Cc1cc(=O)n(-c2ccccc2)n1C
InChI
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O
Molecular Weight 188.23
AlogP 1.48
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 26.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase-1 inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 79.71-82.49
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 20.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.71-82.49
Homo sapiens
- - - - -5.75-20.7

Target Conservation

Protein: Cyclooxygenase-1
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303

Related Entries

Cross References

Resources Reference
ChEBI 31225
ChEMBL CHEMBL277474
DrugBank DB01435
DrugCentral 861
FDA SRS T3CHA1B51H
Human Metabolome Database HMDB0015503
KEGG C13244
PharmGKB PA448453
PubChem 2206
SureChEMBL SCHEMBL20452
ZINC ZINC000000061044
CONTENTS