Details of the Drug

General Information of Drug (ID: DMNJSTM)

Drug Name

(S)-AMPA

Synonyms

(S)-AMPA; 83643-88-3; (S)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; UNII-9280SC28GD; CHEMBL276815; 9280SC28GD; (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid; AMPA, L-; AMQ; glutamate-AMPA; 1ftm; Tocris-0254; Tocris-0169; Tocris-1074; S-AMPA; 1p1q; L-AMPA; Lopac-G-017; AC1L4JUQ; Biomol-NT_000216; (S)-a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid; SCHEMBL667915; BPBio1_001304; CTK7I3476; BDBM17662; BDBM85214; UUDAMDVQRQNNHZ-YFKPBYRVSA-N; MolPort-003-940-001; MolPort-003-983-512; HMS3266E09

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

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

186.17

Logarithm of the Partition Coefficient (xlogp)

-3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C7H10N2O4
IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Canonical SMILES: CC1=C(C(=O)NO1)C[C@@H](C(=O)O)N
InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N

Cross-matching ID

PubChem CID: 158397
CAS Number: 83643-88-3
DrugBank ID: DB02057
TTD ID: D0T5SU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Inhibitor	[1]
Glutamate receptor AMPA 1 (GRIA1)	TTVPQTF	GRIA1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA 1 (GRIA1)	DTT	GRIA1	1.46E-06	-0.63	-0.78
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Synthesis and pharmacology of willardiine derivatives acting as antagonists of kainate receptors. J Med Chem. 2005 Dec 1;48(24):7867-81.