Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0990)
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
Indication Epilepsy [ICD11: 8A60] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 246.3 Topological Polar Surface Area 54.4
Heavy Atom Count 18 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3965
ChEBI ID
CHEBI:76172
CAS Number
68767-14-6
Formula
C15H18O3
Canonical SMILES
CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O
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
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
CS-600G M1 PDM007805
102270366
Oxidation - alpha-Hydroxylation of carbonyl group 1 Human
CS-600G M1 PDM007805
102270366
Oxidation - Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring 1 Human
CS-600G M10 PDM007813
13148385
Reduction - Reduction of ketone to alcohol 1 Human
CS-600G M2 PDM007806 N. A. Oxidation - Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring 1 Human
CS-600G M3 PDM007807 N. A. Oxidation - Hydroxylation of terminal methyl 1 Human
CS-600G M4 PDM007808 N. A. Other reaction - Terminal desaturation 1 Human
CS-600G M43 PDM007846 N. A. Conjugation - Glycine conjugation 1 Human
CS-600G M44 PDM007847 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
CS-600G M45 PDM007848 N. A. Conjugation - Carnitine conjugation 1 Human
CS-600G M6 PDM007809
144420542
Oxidation - alpha-Hydroxylation of carbonyl group 1 Human
CS-600G M7 PDM007810 N. A. Oxidation - alpha-Hydroxylation of carbonyl group 1 Human
CS-600G M8 PDM007811 N. A. Oxidation - Hydroxylation of alicyclic secondary carbon 1 Human
CS-600G M9 PDM007812 N. A. Oxidation - Hydroxylation of alicyclic secondary carbon 1 Human
CS-600G M11 PDM007814 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M12 PDM007815 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M13 PDM007816 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M14 PDM007817 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M15 PDM007818 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M16 PDM007819 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
CS-600G M17 PDM007820 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M18 PDM007821 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M19 PDM007822 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M20 PDM007823 N. A. Conjugation - Sulfation of primary alcohol 2 Human
CS-600G M21 PDM007824 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M22 PDM007825 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M23 PDM007826 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M24 PDM007827 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M25 PDM007828 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M26 PDM007829 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M27 PDM007830 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M28 PDM007831 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M29 PDM007832 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
CS-600G M30 PDM007833 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M31 PDM007834 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M32 PDM007835 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M33 PDM007836 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
CS-600G M34 PDM007837 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M35 PDM007838 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M36 PDM007839 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M37 PDM007840 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
CS-600G M38 PDM007841 N. A. Conjugation - Glycine conjugation 2 Human
CS-600G M39 PDM007842 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
CS-600G M40 PDM007843 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
CS-600G M41 PDM007844 N. A. Conjugation - Sulfation of secondary alcohol 2 Human
CS-600G M42 PDM007845
71408612
Conjugation - Glycine conjugation 2 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT01779271) Phase 3 Study of Pelubiprofen & Loxoprofen in Patients With Upper Respiratory Tract Infection.
2 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.

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