Details of the Drug

General Information of Drug (ID: DMZDN4W)

Drug Name
L-alanine
Synonyms
ALA; Alaninum; LPG; Polyalanine; A-Alanine; A-Aminopropionic acid; Alanina [DCIT,Spanish]; Alanine (USP); L-A-Aminopropionicacid; L-Alanine (9CI); L-Alanine (JAN); L-Alanine, homopolymer; L-Alanine, labeled with tritium; L-a-Alanine; L-a-Aminopropionic acid; Poly-DL-alanine; L-Alanine, labeled with carbon-14; Alanine, L-(7CI,8CI); F4F207FF-8FF8-4789-99A1-147AE0A36673; L-Alanine, N-coco alkyl derivs.; Propanoic acid, 2-amino-, (S); (C14)L-Alanine; (S)-2-Aminopropionic acid; 14C-L-Alanine
Indication
Disease Entry ICD 11 Status REF
Dietary shortage 5B5K Approved [1], [2], [3]
Glioma 2A00.0 Approved [1], [2], [3]
Therapeutic Class
Dietary supplement
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 89.09
Topological Polar Surface Area (xlogp) -3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H7NO2
IUPAC Name
(2S)-2-aminopropanoic acid
Canonical SMILES
C[C@@H](C(=O)O)N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey
QNAYBMKLOCPYGJ-REOHCLBHSA-N
Cross-matching ID
PubChem CID
5950
ChEBI ID
CHEBI:16977
CAS Number
56-41-7
DrugBank ID
DB00160
TTD ID
D09PUL
VARIDT ID
DR00142

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium-coupled neutral amino acid transporter 3 (SLC38A3) DTKWJH3 S38A3_HUMAN Substrate [5]
Sodium-coupled neutral amino acid transporter 5 (SLC38A5) DTLX28N S38A5_HUMAN Substrate [5]
Sodium-coupled neutral amino acid transporter 4 (SLC38A4) DTPJBD5 S38A4_HUMAN Substrate [5]
Sodium-coupled neutral amino acid transporter 2 (SLC38A2) DTTWL58 S38A2_HUMAN Substrate [5]
Sodium-coupled neutral amino acid transporter 1 (SLC38A1) DTD815L S38A1_HUMAN Substrate [5]
L-type amino acid transporter 2 (SLC7A8) DTJF3DX LAT2_HUMAN Substrate [6]
Alanine/serine/cysteine/threonine transporter 1 (SLC1A4) DTC54PX SATT_HUMAN Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 02 Neoplasm
Disease Class ICD-11: 2C82 Prostate cancer
The Studied Tissue Brainstem tissue
The Studied Disease Glioma [ICD-11:2C82]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GABA transaminase (ABAT) DTT ABAT 5.15E-01 0.74 0.76
GABA transaminase (ABAT) DTT ABAT 1.37E-01 0.59 0.46
Sodium-coupled neutral amino acid transporter 2 (SLC38A2) DTP SNAT2 1.60E-02 -2.27E-01 -8.32E-01
Sodium-coupled neutral amino acid transporter 4 (SLC38A4) DTP SNAT4 1.91E-02 -1.22E-01 -7.11E-01
Sodium-coupled neutral amino acid transporter 5 (SLC38A5) DTP SNAT5 9.89E-03 -2.82E-01 -9.82E-01
Sodium-coupled neutral amino acid transporter 3 (SLC38A3) DTP SNAT3 4.44E-01 -1.01E-01 -3.19E-01
L-type amino acid transporter 2 (SLC7A8) DTP LAT2 6.59E-01 -2.37E-01 -3.24E-01
Sodium-coupled neutral amino acid transporter 1 (SLC38A1) DTP SNAT1 4.12E-05 1.23E+00 2.07E+00
Alanine/serine/cysteine/threonine transporter 1 (SLC1A4) DTP ASCT1 6.61E-01 -1.27E-02 -3.00E-02
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: 720).
2 Drug information of L-Alanine, Health Canada, 2008. (drugid: 7638)
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
4 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
5 Identification of SLC38A7 (SNAT7) protein as a glutamine transporter expressed in neurons. J Biol Chem. 2011 Jun 10;286(23):20500-11.
6 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.3.8.20)
7 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.
8 Purification of recombinant human N-acetyltransferase type 1 (NAT1) expressed in E. coli and characterization of its potential role in folate metabolism. Biochem Pharmacol. 1995 Jun 16;49(12):1759-67.
9 Identification of amino acids imparting acceptor substrate selectivity to human arylamine acetyltransferases NAT1 and NAT2. Biochem J. 2000 May 15;348 Pt 1:159-66.
10 Quantifying the relative contributions of different solute carriers to aggregate substrate transport. Sci Rep. 2017 Jan 16;7:40628.
11 Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
12 Clinical pipeline report, company report or official report of Catalyst Pharma.
13 Phase II clinical trial of K-828-AB for treating behavioral and psychological symptoms of dementia. Kowa Co. Ltd.
14 Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb;16(3):592-5.
15 Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one. Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4.
16 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.