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]
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
PubChem CID
5282203
CAS Number
69956-77-0
UNII
1619C79FVJ
DrugBank ID
DB12150
TTD ID
D0X4JN
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.