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

General Information of Drug (ID: DR0759)
Drug Name
CERC-801
Synonyms
D-(+)-Galactose Anhydrous; D-Galactopyranose; D-Galactopyranoside; D-Galactose; D-Galactose (9CI); D-Glucose-2-13C; Echocon; Echovist; Galactopyranose; Galactopyranoside; Galactose; Galactose, D- (8CI); Galactose, pure; Shu 450; Shu 454; Shu-454; brain sugar; cerebrose; dl-Galactose; 10257-28-0; AC1L1LNU; AC1Q28DZ; AI3-18440; CHEBI:4139; D-Gal; DSSTox_CID_3088; DSSTox_GSID_23088; DSSTox_RID_76869; EINECS 233-595-2; Epitope ID:141794; Gal; MLS001335983; MLS001335984; NCGC00159442-02; SCHEMBL38935; SMR000857326
Indication Glycosylation disorder [ICD11: 5C54] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 180.16 Topological Polar Surface Area 110
Heavy Atom Count 12 Rotatable Bond Count 1
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6036
ChEBI ID
CHEBI:4139
CAS Number
10257-28-0
Formula
C6H12O6
Canonical SMILES
C(C1C(C(C(C(O1)O)O)O)O)O
InChI
1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChIKey
WQZGKKKJIJFFOK-SVZMEOIVSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Galactitol DM006827
11850
Unclear 1 [8]
Galactose-1-phosphate DM001735
123912
Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [4]
Unclear DM009999 N. A. Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007410 CERC-801 Galactitol Unclear Unclear [8]
MR007411 CERC-801 Unclear Unclear araA [5]
MR007412 CERC-801 Galactose-1-phosphate Unclear GALK1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Galactose kinase (GALK1) DME0417 Homo sapiens
GALK1_HUMAN
2.7.1.6
[2]
Glyceraldehyde-3-phosphate dehydrogenase (gap) DME1052 Lactobacillus acidophilus
A0A3A9YGB0_LACAI
1.2.1.-
[3]
L-arabinose isomerase (araA) DME1053 Lactobacillus sakei
ARAA_LACSS
5.3.1.4
[4]
L-arabinose isomerase (araA) DME1054 Clostridium hylemonae
C0C0X3_9FIRM
5.3.1.4
[5]
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[6]
Unclear metabolic mechanism (DME-unclear) DME1267 Anaerobutyricum hallii Not Available Not Available [7]
⏷ Show the Full List of 6  DME(s)
References
1 ClinicalTrials.gov (NCT02955264) Using D-Galactose as a Food Supplement in Congenital Disorders of Glycosylation.
2 Molecular and biochemical characterization of human galactokinase and its small molecule inhibitors. Chem Biol Interact. 2010 Dec 5;188(3):376-85.
3 Cloning, expression and characterization of a mucin-binding GAPDH from Lactobacillus acidophilus. Int J Biol Macromol. 2016 Oct;91:338-46.
4 The acid tolerant L-arabinose isomerase from the food grade Lactobacillus sakei 23K is an attractive D-tagatose producer. Bioresour Technol. 2010 Dec;101(23):9171-7.
5 Biochemical properties of L-arabinose isomerase from Clostridium hylemonae to produce D-tagatose as a functional sweetener. PLoS One. 2018 Apr 23;13(4):e0196099.
6 Sulfation of the galactose residues in the glycosaminoglycan-protein linkage region by recombinant human chondroitin 6-O-sulfotransferase-1. J Biol Chem. 2008 Oct 10;283(41):27438-43.
7 Reclassification of Eubacterium hallii as Anaerobutyricum hallii gen. nov., comb. nov., and description of Anaerobutyricum soehngenii sp. nov., a butyrate and propionate-producing bacterium from infant faeces. Int J Syst Evol Microbiol. 2018 Dec;68(12):3741-3746.
8 Metabolism of D-galactose is dispensable for the induction of the beta-galactosidase (bgaD) and lactose permease (lacpA) genes in Aspergillus nidulans

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