Details of the Drug

General Information of Drug (ID: DMQMGXV)

Drug Name
Loxoprofen gel
Synonyms
Loxonin; Loxoprofen; Loxonin Pap; Loxonin Tape; CS-600G; LX-A; LX-P; Loxonin Gel 1%; Lipoxin A, Daiichi Sankyo/Lead Chemical; Lipoxin A, Sankyo/ Lead Chemical; Loxoprofen (gel, pain/ inflammation), Daiichi Sankyo; Loxoprofen (gel, pain/ inflammation), Sankyo; Loxoprofen (patch, pain/inflammation), Daiichi Sankyo/ Lead Chemical; Loxoprofen (patch, pain/inflammation), Sankyo/ Lead Chemical
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 246.3
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H18O3
IUPAC Name
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
Canonical SMILES
CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O
InChI
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
InChIKey
YMBXTVYHTMGZDW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3965
ChEBI ID
CHEMBL19299
CAS Number
7-14-6
TTD ID
D0LR4B
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 Inhibitor [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 Comparative study of the clinical efficacy of the selective cyclooxygenase-2 inhibitor celecoxib compared with loxoprofen in patients with frozen shoulder. Mod Rheumatol. 2014 Jan;24(1):144-9.