Details of the Drug

General Information of Drug (ID: DMMG2TO)

• Drug Name: D-glucose
• Synonyms: D-Glucopyranose; Glucopyranose; D-Glc; D-Glcp; Glucodin; Meritose; Clintose L; Roferose ST; CPC hydrate; Clearsweet 95; 2280-44-6; Staleydex 95M; CHEBI:4167; Glucopyranoside; D-Glucopyranoside; Glc; (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; Glucopyranose, D-; DSSTox_CID_2910; Glucose solution; D-Glucopyranose, anhydrous; glc-ring; D-glucose-ring; Cartose Cerelose; Staleydex 130; Glucose 40; EINECS 218-914-5; Meritose 200; Glc-OH

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 180.16
  Logarithm of the Partition Coefficient (xlogp); -2.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 6
• ADMET Property:
  Bioavailability: 99% of drug becomes completely available to its intended biological destination(s) [2]
  Clearance: The clearance of drug is 2.27 +/- 0.37 mL/min/kg [3]
  Elimination: The drug is excreted via renal [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 14.3 minutes [4]
  Metabolism: The drug is metabolized via substrate-level phosphorylation [5]
  Vd: The volume of distribution (Vd) of drug is 10.6 L [4]
• Chemical Identifiers:
  Formula: C6H12O6
  IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
  InChI: 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-GASJEMHNSA-N
• Cross-matching ID:
  PubChem CID: 5793
  ChEBI ID: CHEBI:4167
  CAS Number: 2280-44-6
  UNII: 5SL0G7R0OK
  DrugBank ID: DB01914
  TTD ID: D0C1FY
  VARIDT ID: DR00165
  INTEDE ID: DR2081

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Sodium/glucose cotransporter 2 (SLC5A2)	DTKNH2D	SC5A2_HUMAN	Substrate	[6]
Glucose transporter type 1, erythrocyte/brain (SLC2A1)	DTG3T6X	GTR1_HUMAN	Substrate	[7]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
ADP-dependent glucokinase (ADPGK)	DENZGO4	ADPGK_HUMAN	Substrate	[8]
Brain form hexokinase (HK1)	DEDMAGE	HXK1_HUMAN	Substrate	[9]
Alcohol dehydrogenase (ADH)	DEKU5HL	A4L2V0_LACRE	Substrate	[10], [11]
D-Lactate dehydrogenase (ldhA)	DEQUGC0	A0A1C7BXR3_PSEAI	Substrate	[12], [13]
Alpha-glucosidase (aglA)	DEAMSKV	PAGL1_LACP3	Substrate	[14]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
3-hydroxyisobutyryl-CoA hydrolase, mitochondrial (HIBCH)	OTU2VHWR	HIBCH_HUMAN	Protein Interaction/Cellular Processes	[15]
60 kDa heat shock protein, mitochondrial (HSPD1)	OTTO1Y11	CH60_HUMAN	Gene/Protein Processing	[16]
Acetyl-CoA carboxylase 1 (ACACA)	OT5CQPZY	ACACA_HUMAN	Gene/Protein Processing	[17]
Acetyl-CoA carboxylase 2 (ACACB)	OT96UIP1	ACACB_HUMAN	Post-Translational Modifications	[18]
Acetyl-coenzyme A synthetase 2-like, mitochondrial (ACSS1)	OT6C1WQD	ACS2L_HUMAN	Gene/Protein Processing	[19]
Acetyl-coenzyme A synthetase, cytoplasmic (ACSS2)	OTB1FZJU	ACSA_HUMAN	Gene/Protein Processing	[19]
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[20]
Actin, aortic smooth muscle (ACTA2)	OTEDLG8E	ACTA_HUMAN	Gene/Protein Processing	[21]
Actin, cytoplasmic 1 (ACTB)	OT1MCP2F	ACTB_HUMAN	Gene/Protein Processing	[22]
Adiponectin (ADIPOQ)	OTNX23LE	ADIPO_HUMAN	Protein Interaction/Cellular Processes	[15]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4536).
• [2] Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
• [3] JOKIPII SG, TURPEINEN O: Kinetics of elimination of glucose from the blood during and after a continuous intravenous injection. J Clin Invest. 1954 Mar;33(3):452-8.
• [4] [Behavior of various blood constituents (glucose, fructose, insulin, lactate, pyruvate, free fatty acids, inorganic phosphate) and the half-life of monosaccharides in plasma after i.v infusion of glucose, fructose, galactose and invert sugar solutions in ruminants. 3. Studies in sheep]. Arch Exp Veterinarmed. 1978;32(5):715-25.
• [5] Goodman DW: Lisdexamfetamine dimesylate (vyvanse), a prodrug stimulant for attention-deficit/hyperactivity disorder. P T. 2010 May;35(5):273-87.
• [6] The role of SGLT1 and GLUT2 in intestinal glucose transport and sensing. PLoS One. 2014 Feb 26;9(2):e89977.
• [7] The SLC2 (GLUT) family of membrane transporters. Mol Aspects Med. 2013 Apr-Jun;34(2-3):121-38.
• [8] The Structural and functional characterization of mammalian ADP-dependent glucokinase. J Biol Chem. 2016 Feb 19;291(8):3694-704.
• [9] Nonaggregating mutant of recombinant human hexokinase I exhibits wild-type kinetics and rod-like conformations in solution. Biochemistry. 1999 Jun 29;38(26):8359-66.
• [10] 1,3-Propanediol:NAD+ oxidoreductases of Lactobacillus brevis and Lactobacillus buchneri. Appl Environ Microbiol. 1992 Jun;58(6):2005-10.
• [11] Aciduric strains of Lactobacillus reuteri and Lactobacillus rhamnosus, isolated from human feces, have strong adhesion and aggregation properties. Probiotics Antimicrob Proteins. 2018 Mar;10(1):89-97.
• [12] Presence of lactate dehydrogenase and lactate racemase in Megasphaera elsdenii grown on glucose or lactate. Appl Environ Microbiol. 1993 Jan;59(1):255-9.
• [13] hole-Genome sequence of a Megasphaera elsdenii strain isolated from the gut of a healthy Indian adult subject. Genome Announc. 2017 Oct 19;5(42):e01033-17.
• [14] Administration of Lactobacillus paracasei ameliorates type 2 diabetes in mice. Food Funct. 2018 Jul 17;9(7):3630-3639.
• [15] Calorie restriction-induced changes in the secretome of human adipocytes, comparison with resveratrol-induced secretome effects. Biochim Biophys Acta. 2014 Sep;1844(9):1511-22. doi: 10.1016/j.bbapap.2014.04.023. Epub 2014 May 5.
• [16] Mitochondria are an essential mediator of nitric oxide/cyclic guanosine 3',5'-monophosphate blocking of glucose depletion induced cytotoxicity in human HepG2 cells. Mol Cancer Res. 2007 Sep;5(9):923-32.
• [17] Metformin leads to accumulation of reactive oxygen species by inhibiting the NFE2L1 expression in human hepatocellular carcinoma cells. Toxicol Appl Pharmacol. 2021 Jun 1;420:115523. doi: 10.1016/j.taap.2021.115523. Epub 2021 Apr 8.
• [18] Faster lipid -oxidation rate by acetyl-CoA carboxylase 2 inhibition alleviates high-glucose-induced insulin resistance via SIRT1/PGC-1 in human podocytes. J Biochem Mol Toxicol. 2021 Jul;35(7):e22797. doi: 10.1002/jbt.22797. Epub 2021 May 6.
• [19] Transcriptional Regulation of Human Arylamine N-Acetyltransferase 2 Gene by Glucose and Insulin in Liver Cancer Cell Lines. Toxicol Sci. 2022 Nov 23;190(2):158-172. doi: 10.1093/toxsci/kfac103.
• [20] Ascorbic acid and protein glycation initro. Chem Biol Interact. 2015 Oct 5;240:154-62.
• [21] Aberrant Wnt/Beta-Catenin Pathway Activation in Dialysate-Induced Peritoneal Fibrosis. Front Pharmacol. 2017 Oct 30;8:774. doi: 10.3389/fphar.2017.00774. eCollection 2017.
• [22] Proteomic analysis of proteins associated with cellular senescence by calorie restriction in mesenchymal stem cells. In Vitro Cell Dev Biol Anim. 2012 Mar;48(3):186-95.