MUSCIMOL

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Search structure


Synonyms	Agarin Muscimol NSC-333569 Pantherine
Status
Molecule Category	Free-form
UNII	D5M179TY2E
EPA CompTox	DTXSID5041069

Structure


InChI Key	ZJQHPWUVQPJPQT-UHFFFAOYSA-N
Smiles	NCc1cc(O)no1
InChI	InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H6N2O2
Molecular Weight	114.1
AlogP	-0.16
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	72.28
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	8.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor	210-700	2-135	-	4-11	0.004

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	2-135	-	-	-
Homo sapiens	53.7-700	16	-	11	-
Mus musculus	-	-	15.2	-	-
Rattus norvegicus	-	3-10	-	4-7	0.004

Cross References

Resources	Reference
ChEBI	7035
ChEMBL	CHEMBL273481
DrugBank	DB12458
FDA SRS	D5M179TY2E
Guide to Pharmacology	4259
KEGG	C08311
PubChem	4266
SureChEMBL	SCHEMBL149693
ZINC	ZINC000022064260

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025