Details of the Drug

General Information of Drug (ID: DMFETDK)

Drug Name
Artemisinin SP
Synonyms
Isoguvacine; isoguvacine; 1,2,3,6-tetrahydropyridine-4-carboxylic acid; 64603-90-3; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid; UNII-YTF580771Y; CHEMBL39071; CHEBI:34799; YTF580771Y; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-; AC1OEMUS; 1,2,3,6-tetrahydropyridinium-4-carboxylate; 1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate; Tocris-0235; Spectrum_001974; Lopac-G-002; AC1L1GNT; Spectrum3_001869; Biomol-NT_000254; AC1Q5QG1; Lopac0_000561; KBioSS_002540; BSPBio_003318; DivK1c_000115
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 127.14
Topological Polar Surface Area (xlogp) -2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H9NO2
IUPAC Name
1,2,3,6-tetrahydropyridine-4-carboxylic acid
Canonical SMILES
C1CNCC=C1C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
InChIKey
KRVDMABBKYMBHG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3765
ChEBI ID
CHEBI:34799
CAS Number
64603-90-3
TTD ID
D03KEK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Agonist [2]
Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A) TTZVSJ2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Malaria
ICD Disease Classification 1F40-1F45
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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3 Expression and functional characterization of a Plasmodium falciparum Ca2+-ATPase (PfATP4) belonging to a subclass unique to apicomplexan organisms. J Biol Chem. 2001 Apr 6;276(14):10782-7.
4 Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. Bioorg Med Chem. 2010 Aug 1;18(15):5634-46.
5 Reduced inhibition of cortical glutamate and GABA release by halothane in mice lacking the K+ channel, TREK-1. Br J Pharmacol. 2007 Nov;152(6):939-45.
6 Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
7 Eszopiclone: its use in the treatment of insomnia. Neuropsychiatr Dis Treat. 2007 Aug;3(4):441-453.
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9 Enflurane directly depresses glutamate AMPA and NMDA currents in mouse spinal cord motor neurons independent of actions on GABAA or glycine receptors. Anesthesiology. 2000 Oct;93(4):1075-84.
10 Transmembrane residues define the action of isoflurane at the GABAA receptor alpha-3 subunit. Brain Res. 2005 Jan 25;1032(1-2):30-5.
11 Glutamatergic and GABAergic modulations of ultrasonic vocalizations during maternal separation distress in mouse pups. Psychopharmacology (Berl). 2009 May;204(1):61-71.
12 Pharmacologic management of Alzheimer disease, Part II: Antioxidants, antihypertensives, and ergoloid derivatives. Ann Pharmacother. 1999 Feb;33(2):188-97.
13 Anaesthetic drugs: linking molecular actions to clinical effects. Curr Pharm Des. 2006;12(28):3665-79.
14 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015