FENCLOFENAC

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Search structure


Synonyms	Fenclofenac R 67408 R-67408 RX 67408 RX-67408
Status
Molecule Category	UNKNOWN
UNII	Y01JW64D01
EPA CompTox	DTXSID6048830


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

Structure


InChI Key	IDKAXRLETRCXKS-UHFFFAOYSA-N
Smiles	O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl
InChI	InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H10Cl2O3
Molecular Weight	297.14
AlogP	4.41
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	46.53
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	19.0

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
Antiinflammatory activity in rats, at a dose of 100 mg/kg po, using adjuvant-induced arthritis test	Rattus norvegicus	35.0 %

Cross References

Resources	Reference
ChEBI	135254
ChEMBL	CHEMBL15677
DrugCentral	1147
FDA SRS	Y01JW64D01
PubChem	65394
SureChEMBL	SCHEMBL25161
ZINC	ZINC000000001428

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).