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
Topological Polar Surface Area (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]
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 Reduced inhibition of cortical glutamate and GABA release by halothane in mice lacking the K+ channel, TREK-1. Br J Pharmacol. 2007 Nov;152(6):939-45.
5 Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
6 Eszopiclone: its use in the treatment of insomnia. Neuropsychiatr Dis Treat. 2007 Aug;3(4):441-453.
7 Effects of sevoflurane on carrageenan- and fentanyl-induced pain hypersensitivity in Sprague-Dawley rats. Can J Anaesth. 2009 Feb;56(2):126-35.
8 Enflurane directly depresses glutamate AMPA and NMDA currents in mouse spinal cord motor neurons independent of actions on GABAA or glycine receptors. Anesthesiology. 2000 Oct;93(4):1075-84.
9 Transmembrane residues define the action of isoflurane at the GABAA receptor alpha-3 subunit. Brain Res. 2005 Jan 25;1032(1-2):30-5.
10 Glutamatergic and GABAergic modulations of ultrasonic vocalizations during maternal separation distress in mouse pups. Psychopharmacology (Berl). 2009 May;204(1):61-71.
11 Pharmacologic management of Alzheimer disease, Part II: Antioxidants, antihypertensives, and ergoloid derivatives. Ann Pharmacother. 1999 Feb;33(2):188-97.
12 Anaesthetic drugs: linking molecular actions to clinical effects. Curr Pharm Des. 2006;12(28):3665-79.
13 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
14 Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. J Med Chem. 2006 Jul 27;49(15):4595-605.
15 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
16 Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
17 Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
18 Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new se... J Med Chem. 1997 Sep 12;40(19):3109-18.
19 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
20 DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
21 Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.