Details of the Drug

General Information of Drug (ID: DM8DQV9)

Drug Name

Pelubiprofen

Synonyms

Pelubi; Rubione; CS-670; DW-330; RS-2131

Indication

Disease Entry	ICD 11	Status	REF
Back pain	ME84.Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

258.31

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H18O3
IUPAC Name: 2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
Canonical SMILES: CC(C1=CC=C(C=C1)/C=C/2\\CCCCC2=O)C(=O)O
InChI: InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
InChIKey: AUZUGWXLBGZUPP-GXDHUFHOSA-N

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 (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Anti-inflammatory effect of pelubiprofen, 2-[4-(oxocyclohexylidenemethyl)-phenyl]propionic acid, mediated by dual suppression of COX activity and LPS-induced inflammatory gene expression via NF- B inactivation. J Cell Biochem. 2011 Dec;112(12):3594-603.