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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

127.14

Logarithm of the Partition Coefficient (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
2	GABA(A) receptor ligands and their therapeutic potentials. Curr Top Med Chem. 2002 Aug;2(8):817-32.