Details of the Drug

General Information of Drug (ID: DMJS62X)

Drug Name

Fluoro loxoprofen

Synonyms

fluoro loxoprofen

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

286.27

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C15H16FNaO3
IUPAC Name: sodium;2-[2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl]propanoate
Canonical SMILES: CC(C1=C(C=C(C=C1)CC2CCCC2=O)F)C(=O)[O-].[Na+]
InChI: InChI=1S/C15H17FO3.Na/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17;/h5-6,8-9,11H,2-4,7H2,1H3,(H,18,19);/q;+1/p-1
InChIKey: ISLFLEUBAXYHSW-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34

Molecular Expression Atlas (MEA)

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References

1	Properties and synthesis of 2-{2-fluoro (or bromo)-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low... J Med Chem. 2010 Nov 11;53(21):7879-82.