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
CHEBI:34018
CAS Number
77521-29-0
TTD ID
D0G1UE

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).