Structure

InChI Key HNNIWKQLJSNAEQ-UHFFFAOYSA-N
Smiles CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl
InChI
InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24ClN3O
Molecular Weight 345.87
AlogP 3.42
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 30.29
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed 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 31266
ChEMBL CHEMBL1528134
FDA SRS K2GI407R4Q
PubChem 65464
SureChEMBL SCHEMBL42644