Details of the Drug

General Information of Drug (ID: DM1PV4Y)

Drug Name
CS-600G
Synonyms
Koloxo; Loxoprofen; Loxoprofen (INN); Loxoprofen [INN]; Loxoprofen sodium hydrate; Loxoprofene; Loxoprofene [French]; Loxoprofeno; Loxoprofeno [Spanish]; Loxoprofenum; Loxoprofenum [Latin]; YMBXTVYHTMGZDW-UHFFFAOYSA-N; sodium loxoprofen; yl]-propionic acid; 2-(4-((2-Oxocyclopentyl)methyl)phenyl)propanoic acid; 2-[4-(2-Oxo-cyclopentylmethyl)-phen; 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid; 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid; 68767-14-6; CHEBI:76172; CHEMBL19299; CS-600; MFCD00864331; Oxeno
ATC Code
M02AA31: CS-600G
M02AA: Antiinflammatory preparations, non-steroids for topical use
M02A: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M: MUSCULO-SKELETAL SYSTEM
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
ADMET Property
Bioavailability
The bioavailability of drug is 0.64% [1]
Elimination
50% of drug renal excretion, and 20% - 30% of drug is excreted in the stool [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 15 hours [3]
Metabolism
The drug is metabolized via the carbonyl reductase in the liver [4]
Vd
The volume of distribution (Vd) of drug is 0.16 L/kg [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
68767-14-6
UNII
3583H0GZAP
DrugBank ID
DB09212
INTEDE ID
DR0990
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 2B7 (UGT2B7)
Main DME 		DEB3CV1 UD2B7_HUMAN Substrate [5]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Claudin-1 (CLDN1) OT27KV99 CLD1_HUMAN Gene/Protein Processing [6]
Claudin-3 (CLDN3) OT71MN9S CLD3_HUMAN Gene/Protein Processing [6]
Claudin-5 (CLDN5) OTUX60YO CLD5_HUMAN Gene/Protein Processing [6]
Cytochrome P450 4A11 (CYP4A11) OTPU5J0S CP4AB_HUMAN Gene/Protein Processing [7]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Post-Translational Modifications [6]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Post-Translational Modifications [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Porras AG, Holland SD, Gertz BJ: Pharmacokinetics of alendronate. Clin Pharmacokinet. 1999 May;36(5):315-28. doi: 10.2165/00003088-199936050-00002.
2 LOXOPROFEN
3 Loxoprofen Sodium
4 Ravindran S, Zharikova OL, Hill RA, Nanovskaya TN, Hankins GD, Ahmed MS: Identification of glyburide metabolites formed by hepatic and placental microsomes of humans and baboons. Biochem Pharmacol. 2006 Dec 15;72(12):1730-7. doi: 10.1016/j.bcp.2006.08.024. Epub 2006 Aug 30.
5 Exploring the metabolism of loxoprofen in liver microsomes: the role of cytochrome P450 and UDP-glucuronosyltransferase in its biotransformation. Pharmaceutics. 2018 Aug 2;10(3). pii: E112.
6 Loxoprofen enhances intestinal barrier function via generation of its active metabolite by carbonyl reductase 1 in differentiated Caco-2?cells. Chem Biol Interact. 2021 Oct 1;348:109634. doi: 10.1016/j.cbi.2021.109634. Epub 2021 Sep 8.
7 Effects of acidic non-steroidal anti-inflammatory drugs on human cytochrome P450 4A11 activity: Roles of carboxylic acid and a sulfur atom in potent inhibition by sulindac sulfide. Chem Biol Interact. 2023 Sep 1;382:110644. doi: 10.1016/j.cbi.2023.110644. Epub 2023 Jul 25.