Details of the Drug

General Information of Drug (ID: DMH96AI)

Drug Name

homo-AMPA

Synonyms

CHEMBL107768; homo-AMPA; HomoAMPA; AC1N6KQF; 2-Amino-4-(3-hydroxy-5-methyl-isoxazol-4-yl)-butyric acid; GTPL3359; SCHEMBL3731488; CTK8G0203; HMS3267O13; BDBM50052551; NCGC00024946-02; SR-01000597464; SR-01000597464-1; 2-amino-4-(5-methyl-3-oxo-1,2-oxazol-4-yl)butanoic acid; 2-Amino-4-(3-hydroxy-5-methylisoxazole-4-yl)butyric acid; 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid; a-Amino-2,3-dihydro-5-methyl-3-oxo-4-isoxazolebutanoic acid; 2-amino-4-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)butanoic acid

Indication

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

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

200.19

Logarithm of the Partition Coefficient (xlogp)

-2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H12N2O4
IUPAC Name: 2-amino-4-(5-methyl-3-oxo-1,2-oxazol-4-yl)butanoic acid
Canonical SMILES: CC1=C(C(=O)NO1)CCC(C(=O)O)N
InChI: InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKey: NZDIZJGEDFARSV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4236420
TTD ID: D0L0YF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 6 (mGluR6)	TTWRP2F	GRM6_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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: 3359).
2	A new highly selective metabotropic excitatory amino acid agonist: 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid. J Med Chem. 1996 Aug 2;39(16):3188-94.