PIRPROFEN

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Search structure


Synonyms	Pirprofen Racemic pirprofen Rangasil 400 Rengasil SU 21524 SU-21524 Seflenyl
Status
Molecule Category	UNKNOWN
ATC	M01AE08
UNII	T7KN291890
EPA CompTox	DTXSID7023489


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PIDSZXPFGCURGN-UHFFFAOYSA-N
Smiles	CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
InChI	InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H14ClNO2
Molecular Weight	251.71
AlogP	2.9
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	40.54
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	17.0

Bioactivity

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	PubMed PubMed


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

Assay Description	Organism	Bioactivity	Reference
In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1) at 200 uM; Inactive	None	50.0 %

Cross References

Resources	Reference
ChEBI	135028
ChEMBL	CHEMBL188952
DrugBank	DB13722
DrugCentral	2213
FDA SRS	T7KN291890
PubChem	35935
SureChEMBL	SCHEMBL24311

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).