FENBUFEN

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Search structure


Synonyms	CL 82,204 CL-82204 Cinopal Fenbufen Fenbuzip 300 Fenbuzip 450 Lederfen 450 Lederfen cp Lederfen f NSC-757812
Status
Molecule Category	UNKNOWN
ATC	M01AE05
UNII	9815R1WR9B
EPA CompTox	DTXSID9023043


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

Structure


InChI Key	ZPAKPRAICRBAOD-UHFFFAOYSA-N
Smiles	O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChI	InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H14O3
Molecular Weight	254.28
AlogP	3.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	54.37
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity	Reference
Evaluated for the percentage inhibition by adjuvant arthritis test at a dose of 50 mg/kg administarted perorally	Rattus norvegicus	71.0 %
Antiinflammatory activity in rat assessed as inhibition of carrageenan-induced paw edema at 10 mg/kg, po	Rattus norvegicus	56.3 %
Inhibition of lipid peroxidation assessed as malondialdehyde level per 100 mg of gastric mucosa isolated from albino mouse at dose 30 mg/kg, po	Mus musculus	6.8 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	172.92 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	86.33 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-0.76 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	12.4 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.1 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.1 %

Cross References

Resources	Reference
ChEBI	31599
ChEMBL	CHEMBL277522
DrugBank	DB08981
DrugCentral	1145
FDA SRS	9815R1WR9B
PharmGKB	PA166049176
PubChem	3335
SureChEMBL	SCHEMBL25117
ZINC	ZINC000000001427

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).