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]
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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
UNII: D5M179TY2E
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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.