Structure

InChI Key MPHPHYZQRGLTBO-UHFFFAOYSA-N
Smiles CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O
InChI
InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N4O2
Molecular Weight 300.36
AlogP 2.06
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 56.22
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed

Target Conservation

Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 1

Organism : Homo sapiens

P23219 ENSG00000095303
Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 2

Organism : Homo sapiens

P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 38010
ChEMBL CHEMBL1565476
DrugCentral 266
FDA SRS K2VOT966ZI
PharmGKB PA166049192
PubChem 26098
SureChEMBL SCHEMBL3190