General Information of Drug (ID: DMIOZ29)

Drug Name
Glycine
Synonyms
Aciport; Aminoazijnzuur; Aminoessigsaeure; Amitone; Corilin; Glicina; Glicoamin; Gly; Glycin; Glycinum; Glycocoll; Glycolixir; Glycosthene; Glykokoll; Glyzin; Hgly; Leimzucker; Padil; Polyglycine; Acide aminoacetique; Acido aminoacetico; Acidum aminoaceticum; Aminoacetic acid; Aminoethanoic acid; An alpha amino acid ester; Glycine [INN]; Hampshire glycine; Polyglycine II; Sucre de gelatine; Acide aminoacetique [INN-French]; Acido aminoacetico [INN-Spanish]; Acidum aminoaceticum [INN-Latin]; GLY (IUPAC abbrev); GLYCINE, ACS; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Gyn-hydralin; L-Glycine; S04-0135; AB-131/40217813; AMINOACETIC ACID 1.5% IN PLASTIC CONTAINER; GLYCINE 1.5% IN PLASTIC CONTAINER; Glycine (JP15/USP); Glycine iron sulphate (1:1); Glycine, homopolymer (VAN); Glycine, labeled with carbon-14; Glycine, non-medical; Glycine-UL-14C hydrochloride; H-Gly-OH; H2N-CH2-COOH; L-alpha-amino acids; (1-13c)glycinato; (15N)Glycine; 2,2-dialkylglycines; 2-Aminoacetic acid
Indication
Disease Entry ICD 11 Status REF
Malnutrition 5B50-5B71 Approved [1], [2]
Therapeutic Class
Dietary supplement
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 75.07
Topological Polar Surface Area (xlogp) -3.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption
The drug is absorbed from the small intestine by an active transport process [3]
Metabolism
The drug is metabolized via the hepatic [3]
Chemical Identifiers
Formula
C2H5NO2
IUPAC Name
2-aminoacetic acid
Canonical SMILES
C(C(=O)O)N
InChI
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
DHMQDGOQFOQNFH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
750
ChEBI ID
CHEBI:15428
CAS Number
56-40-6
DrugBank ID
DB00145
TTD ID
D0M8AB
VARIDT ID
DR00242
INTEDE ID
DR2025

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Antagonist [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium- and chloride-dependent glycine transporter 1 (SLC6A9) DT2CFQ5 SC6A9_HUMAN Substrate [5]
Sodium- and chloride-dependent glycine transporter 2 (SLC6A5) DTE8R17 SC6A5_HUMAN Substrate [6]
Na(+)/Cl(-) betaine/GABA transporter (SLC6A12) DTBPTJF S6A12_HUMAN Substrate [7]
L-type amino acid transporter 2 (SLC7A8) DTJF3DX LAT2_HUMAN Substrate [8]
Alanine/serine/cysteine/threonine transporter 2 (SLC1A5) DTW7AE3 AAAT_HUMAN Substrate [9]
Proton-coupled amino acid transporter 1 (SLC36A1) DT48WEM S36A1_HUMAN Substrate [10]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Bile acid-CoA thioesterase (BAAT) DERA3OF BAAT_HUMAN Substrate [11]
Delta-aminolevulinate synthase 2 (ALAS2) DE437BY HEM0_HUMAN Substrate [12]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Malnutrition
ICD Disease Classification 5B50-5B71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) DTT GRIN2A 8.43E-01 -0.37 -0.45
Alanine/serine/cysteine/threonine transporter 2 (SLC1A5) DTP ASCT2 3.77E-01 1.05E-01 3.13E-01
L-type amino acid transporter 2 (SLC7A8) DTP LAT2 7.23E-02 -2.92E-01 -4.31E-01
Sodium- and chloride-dependent glycine transporter 2 (SLC6A5) DTP GLYT2 5.44E-01 -6.94E-02 -3.09E-01
Na(+)/Cl(-) betaine/GABA transporter (SLC6A12) DTP BGT1 2.74E-02 2.41E-01 7.42E-01
Proton-coupled amino acid transporter 1 (SLC36A1) DTP PAT1 2.41E-01 1.14E-01 7.69E-01
Sodium- and chloride-dependent glycine transporter 1 (SLC6A9) DTP GLYT1 6.10E-01 -3.57E-01 -8.09E-01
Bile acid-CoA thioesterase (BAAT) DME BAAT 4.92E-01 -4.16E-02 -1.77E-01
Delta-aminolevulinate synthase 2 (ALAS2) DME ALAS2 9.17E-01 1.28E-01 4.32E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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: 727).
2 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 016784.
3 FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
4 Glycine transport inhibitors for the treatment of schizophrenia: Symptom and disease modification. Curr Opin Drug Discov Devel. 2009 Jul;12(4):468-78.
5 Mutation in SLC6A9 encoding a glycine transporter causes a novel form of non-ketotic hyperglycinemia in humans. Hum Genet. 2016 Nov;135(11):1263-1268.
6 Mutations in the GlyT2 gene (SLC6A5) are a second major cause of startle disease. J Biol Chem. 2012 Aug 17;287(34):28975-85.
7 Interpreting metabolomic profiles using unbiased pathway models. PLoS Comput Biol. 2010 Feb 26;6(2):e1000692.
8 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.3.8.20)
9 Transport of butyryl-L-carnitine, a potential prodrug, via the carnitine transporter OCTN2 and the amino acid transporter ATB(0,+). Am J Physiol Gastrointest Liver Physiol. 2007 Nov;293(5):G1046-53.
10 Transport of amino acids and GABA analogues via the human proton-coupled amino acid transporter, hPAT1: characterization of conditions for affinity and transport experiments in Caco-2 cells. Eur J Pharm Sci. 2008 Sep 2;35(1-2):86-95.
11 Bile acid coenzyme A: amino acid N-acyltransferase in the amino acid conjugation of bile acids. Methods Enzymol. 2005;400:374-94.
12 Molecular expression and characterization of erythroid-specific 5-aminolevulinate synthase gain-of-function mutations causing X-linked protoporphyria. Mol Med. 2013 Mar 5;19:18-25.
13 Glycine and taurine conjugation of bile acids by a single enzyme. Molecular cloning and expression of human liver bile acid CoA:amino acid N-acyltransferase. J Biol Chem. 1994 Jul 29;269(30):19375-9.
14 Amino Acid Transporter ATB0,+ as a delivery system for drugs and prodrugs. Curr Drug Targets Immune Endocr Metabol Disord. 2005 Dec;5(4):357-64.
15 A polarized localization of amino acid/carnitine transporter B(0,+) (ATB(0,+)) in the blood-brain barrier. Biochem Biophys Res Commun. 2008 Nov 14;376(2):267-70.
16 High-affinity glutamate transporter GLAST/EAAT1 regulates cell surface expression of glutamine/neutral amino acid transporter ASCT2 in human fetal astrocytes. Neurochem Int. 2006 May-Jun;48(6-7):611-5.
17 Transport of amino acid-based prodrugs by the Na+- and Cl(-) -coupled amino acid transporter ATB0,+ and expression of the transporter in tissues amenable for drug delivery. J Pharmacol Exp Ther. 2004 Mar;308(3):1138-47.
18 Transport of amino acid esters and the amino-acid-based prodrug valganciclovir by the amino acid transporter ATB(0,+). Pharm Res. 2004 Jul;21(7):1303-10.
19 Functional regulation of Na+-dependent neutral amino acid transporter ASCT2 by S-nitrosothiols and nitric oxide in Caco-2 cells. FEBS Lett. 2005 Apr 25;579(11):2499-506.
20 D-Serine Is a Substrate for Neutral Amino Acid Transporters ASCT1/SLC1A4 and ASCT2/SLC1A5, and Is Transported by Both Subtypes in Rat Hippocampal Astrocyte Cultures. PLoS One. 2016 Jun 7;11(6):e0156551.
21 PAT1 (SLC36A1) shows nuclear localization and affects growth of smooth muscle cells from rats. Am J Physiol Endocrinol Metab. 2014 Jan 1;306(1):E65-74.
22 Indirect regulation of the intestinal H+-coupled amino acid transporter hPAT1 (SLC36A1). J Cell Physiol. 2005 Aug;204(2):604-13.
23 Delta-aminolevulinic acid is a substrate for the amino acid transporter SLC36A1 (hPAT1). Br J Pharmacol. 2010 Mar;159(6):1339-53.
24 Intestinal gaboxadol absorption via PAT1 (SLC36A1): modified absorption in vivo following co-administration of L-tryptophan. Br J Pharmacol. 2009 Aug;157(8):1380-9.
25 Rectal absorption of vigabatrin, a substrate of the proton coupled amino acid transporter (PAT1, Slc36a1), in rats. Pharm Res. 2012 Apr;29(4):1134-42.
26 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.22.3.1)
27 Deletion of the betaine-GABA transporter (BGT1; slc6a12) gene does not affect seizure thresholds of adult mice. Epilepsy Res. 2011 Jun;95(1-2):70-81.
28 SLC6A2 Gene (Protein Coding).
29 SLC6 transporters: structure, function, regulation, disease association and therapeutics. Mol Aspects Med. 2013 Apr-Jun;34(2-3):197-219.
30 Glycine is taken up through GLYT1 and GLYT2 transporters into mouse spinal cord axon terminals and causes vesicular and carrier-mediated release of its proposed co-transmitter GABA. J Neurochem. 2001 Mar;76(6):1823-32.
31 Quantifying the relative contributions of different solute carriers to aggregate substrate transport. Sci Rep. 2017 Jan 16;7:40628.
32 Synthesis, ionotropic glutamate receptor binding affinity, and structure-activity relationships of a new set of 4,5-dihydro-8-heteroaryl-4-oxo-1,2,... J Med Chem. 2001 Sep 13;44(19):3157-65.
33 4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.
34 Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. J Med Chem. 2010 May 13;53(9):3611-7.
35 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. (Target id: 456).
36 Amino acid bioisosteres: design of 2-quinolone derivatives as glycine-site N-methyl-D-aspartate receptor antagonists, Bioorg. Med. Chem. Lett. 3(2):299-304 (1993).
37 Synthesis and evaluation of 6,11-ethanohexahydrobenzo[b]quinolizidines: a new class of noncompetitive N-methyl-D-aspartate antagonists. J Med Chem. 1995 Jun 23;38(13):2483-9.
38 Indeno[1,2-b]pyrazin-2,3-diones: a new class of antagonists at the glycine site of the NMDA receptor with potent in vivo activity. J Med Chem. 2000 Jun 15;43(12):2371-81.
39 Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. J Med Chem. 2006 Feb 9;49(3):864-71.