Details of the Drug

General Information of Drug (ID: DMNTF2O)

Drug Name
Muscimol
Synonyms
muscimol; 2763-96-4; Pantherine; Agarin; Agarine; 3(2H)-Isoxazolone, 5-(aminomethyl)-; Pantherin; 5-Aminomethyl-3-isoxyzole; 3-Hydroxy-5-aminomethylisoxazole; 5-Aminomethyl-3-hydroxyisoxazole; 5-(Aminomethyl)-3-isoxazolol; 3-Isoxazolol, 5-(aminomethyl)-; 5-(Aminomethyl)-3(2H)-isoxazolone; RCRA waste number P007; NSC 333569; 3-Hydroxy-5-aminomethyl-isoxazole; UNII-D5M179TY2E; 3-Hydroxy-5-aminomethylisoxazole-agarin; CCRIS 3720; C4H6N2O2; CHEBI:7035; HSDB 6036; EINECS 220-430-4; RCRA waste no. P007; 5-(Aminomethyl)isoxazol-3-ol hydr
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 114.1
Logarithm of the Partition Coefficient (xlogp) -1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H6N2O2
IUPAC Name
5-(aminomethyl)-1,2-oxazol-3-one
Canonical SMILES
C1=C(ONC1=O)CN
InChI
InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
InChIKey
ZJQHPWUVQPJPQT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4266
ChEBI ID
CHEBI:7035
CAS Number
2763-96-4
DrugBank ID
DB12458
TTD ID
D0Z8IJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Agonist [2]
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Agonist [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Gamma-aminobutyric acid receptor subunit alpha-1 (GABRA1) OTC2W96H GBRA1_HUMAN Protein Interaction/Cellular Processes [4]
Gamma-aminobutyric acid receptor subunit beta-3 (GABRB3) OT80C3D4 GBRB3_HUMAN Protein Interaction/Cellular Processes [4]
Gamma-aminobutyric acid receptor subunit gamma-2 (GABRG2) OTGNDWUO GBRG2_HUMAN Protein Interaction/Cellular Processes [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
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. (Ligand id: 4090).
2 THIP treatment of Huntington's disease. Neurology. 1983 May;33(5):637-9.
3 GABA(A) receptor ligands and their therapeutic potentials. Curr Top Med Chem. 2002 Aug;2(8):817-32.
4 p-(4-Azipentyl)propofol: a potent photoreactive general anesthetic derivative of propofol. J Med Chem. 2011 Dec 8;54(23):8124-35. doi: 10.1021/jm200943f. Epub 2011 Nov 10.