FOMEPIZOLE

/static/temp/default.svg

Search structure


Trade Names	ANTIZOL FOMEPIZOLE
Synonyms	4-MP 4-methylpyrazole Antizol Fomepizole NSC-760365
Status
Molecule Category	UNKNOWN
ATC	V03AB34
UNII	83LCM6L2BY
EPA CompTox	DTXSID3040649


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	RIKMMFOAQPJVMX-UHFFFAOYSA-N
Smiles	Cc1cn[nH]c1
InChI	InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H6N2
Molecular Weight	82.11
AlogP	0.72
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	28.68
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	6.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action	Action	Reference
Alcohol dehydrogenase class I inhibitor	INHIBITOR	DailyMed Wikipedia

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	13	141	-

Assay Description	Organism	Bioactivity	Reference
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)	Equus caballus	141.25 nM
Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate assessed as dissociation constant by spectrophotometric titration in presence of 1 mM NAD+	Equus caballus	13.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	11.82 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.02 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.02 %

Cross References

Resources	Reference
ChEBI	5141
ChEMBL	CHEMBL1308
DrugBank	DB01213
DrugCentral	1233
FDA SRS	83LCM6L2BY
Human Metabolome Database	HMDB0015344
KEGG	C07837
PDB	4PZ
PharmGKB	PA449697
PubChem	3406
SureChEMBL	SCHEMBL10591
ZINC	ZINC000000897288

CONTENTS

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).