ANTIPYRINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: T3CHA1B51H

Structure
InChI Key VEQOALNAAJBPNY-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 26.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase-1 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
- - - - 80
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 21

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dysmenorrhea 3 D004412 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Otitis Media 2 D010033 ClinicalTrials

Cross References

Resources Reference
ChEBI 31225
ChEMBL CHEMBL277474
DrugBank DB01435
DrugCentral 861
EPA CompTox DTXSID6021117
FDA SRS T3CHA1B51H
Human Metabolome Database HMDB0015503
KEGG C13244
PharmGKB PA448453
PubChem 2206
SureChEMBL SCHEMBL20452
ZINC ZINC000000061044
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