Details of the Drug

General Information of Drug (ID: DMLF7SG)

Drug Name
[3H]AMPA
Synonyms
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; ampa; 74341-63-2; 77521-29-0; (RS)-AMPA; AMPA (pharmaceutical); CHEMBL13378; CHEBI:34018; 4-Isoxazolepropanoic acid, alpha-amino-2,3-dihydro-5-methyl-3-oxo-; gamma-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; dl-alpha-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; (+-)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; D,L-alpha-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; AMPA
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
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Canonical SMILES
CC1=C(C(=O)NO1)CC(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)
InChIKey
UUDAMDVQRQNNHZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1221
ChEBI ID
CHEMBL13378
CAS Number
77521-29-0
TTD ID
D0G1UE
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Agonist [1]
Glutamate receptor AMPA 2 (GRIA2) TT9HLZ0 GRIA2_HUMAN Agonist [2]
Glutamate receptor AMPA 3 (GRIA3) TT82EZV GRIA3_HUMAN Modulator [3]
Glutamate receptor AMPA 4 (GRIA4) TTPJR0G GRIA4_HUMAN Agonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 5.12E-02 -0.4 -0.21
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 2.97E-01 -4.20E-03 -0.01
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. (Target id: 444).
2 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. (Target id: 445).
3 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. (Target id: 446).
4 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. (Target id: 447).