FENBUFEN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: M01AE05
UNII: 9815R1WR9B

Structure
InChI Key ZPAKPRAICRBAOD-UHFFFAOYSA-N
Smile 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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3900 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 173

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31599
ChEMBL CHEMBL277522
DrugBank DB08981
DrugCentral 1145
EPA CompTox DTXSID9023043
FDA SRS 9815R1WR9B
PharmGKB PA166049176
PubChem 3335
SureChEMBL SCHEMBL25117
ZINC ZINC000000001427
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