METRONIDAZOLE


Trade Names	FLAGYL FLAGYL ER FLAGYL I.V. RTU IN PLASTIC CONTAINER METRO I.V. METRO I.V. IN PLASTIC CONTAINER METROCREAM METROGEL METROGEL-VAGINAL METROLOTION METROMIDOL METRONIDAZOLE METRONIDAZOLE IN PLASTIC CONTAINER NORITATE NUVESSA PROTOSTAT SATRIC VANDAZOLE
Synonyms	Acea Anabact BAY-5360 BAYER 5360 BAYER-5360 Deflamon Drazifon Elyzol Flagyl Flagyl 375 Flagyl I.V. Rtu In Plastic Container Flagyl compak Flagyl er Flagyl-400 Flagyl-s
Status
Molecule Category	Free-form
ATC	A01AB17 D06BX01 G01AF01 J01XD01 P01AB01
UNII	140QMO216E
EPA CompTox	DTXSID2020892


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

Structure


InChI Key	VAOCPAMSLUNLGC-UHFFFAOYSA-N
Smiles	Cc1ncc([N+](=O)[O-])n1CCO
InChI	InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H9N3O3
Molecular Weight	171.16
AlogP	0.09
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	81.19
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Pharmacology

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA Wikipedia

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	17
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	98.27-102.59

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	98.27-102.59
Entamoeba histolytica	-	200-771	-	-	-
Entamoeba histolytica HM-1:IMSS	-	230-770	-	-	-
Giardia intestinalis	-	500-580	-	-	-
Helicobacter pylori	-	-	-	-	20-81.9
Homo sapiens	-	-	-	-	17
Leishmania donovani	-	-	-	-	31.2-68.1
Rattus norvegicus	-	-	-	-	0-66.3
Sporosarcina pasteurii	-	-	-	-	13
Trichomonas vaginalis	794.33-800	68-930	-	-	82.69-100
Trichomonas vaginalis G3	-	216-770	-	-	-

Target Conservation

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Bangladesch
Croatia
Hungary
Romania

Cross References

Resources	Reference
ChEBI	6909
ChEMBL	CHEMBL137
DrugBank	DB00916
DrugCentral	1790
FDA SRS	140QMO216E
Human Metabolome Database	HMDB0015052
Guide to Pharmacology	10914
KEGG	C07203
PDB	2MN
PharmGKB	PA450484
PubChem	4173
SureChEMBL	SCHEMBL23042
ZINC	ZINC000000113442

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).

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).