MENADIONE


Trade Names	MENADIONE
Synonyms	1,4-naphthalenedione, 2-methyl Kappaxin Kayquinone Menadione Menaphthene Menaphthone NSC-4170 Vitamin K 3 Vitamin k 3 Vitamin k3
Status
Molecule Category	Free-form
ATC	B02BA02
UNII	723JX6CXY5
EPA CompTox	DTXSID4021715


InChI Key	MJVAVZPDRWSRRC-UHFFFAOYSA-N
Smiles	CC1=CC(=O)c2ccccc2C1=O
InChI	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

Property Name	Value
Molecular Formula	C11H8O2
Molecular Weight	172.18
AlogP	2.01
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	-1.75-17.76
Enzyme Oxidoreductase	-	110-370	-	400-470	-
Enzyme Phosphatase Protein Phosphatase Serine/threonine/tyrosine protein phosphatase	-	-	-	-	14-27
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4	-	-	-	-	43
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	112.09-157.52
Unclassified protein	-	-	-	-	93-94

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Aspergillus niger	-	-	-	-	0
Cricetulus griseus	-	-	-	-	112.09-157.52
Electrophorus electricus	-	-	-	-	17.76
Equus caballus	-	-	-	-
Escherichia coli	-	-	-	-	93-94
Homo sapiens	-	200-370	-	400-470	-
Human herpesvirus 4	-	-	-	-	0-89.4
Macaca fascicularis	-	110	-	-	-
Mus musculus	-	150	-	-	-
Rattus norvegicus	-	190	-	-	-
Severe acute respiratory syndrome coronavirus 2	-	-	-	-	12.7

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	28869
ChEMBL	CHEMBL590
DrugBank	DB00170
DrugCentral	1683
FDA SRS	723JX6CXY5
Human Metabolome Database	HMDB0001892
Guide to Pharmacology	2771
KEGG	C05377
PDB	VK3
PharmGKB	PA450358
PubChem	4055
SureChEMBL	SCHEMBL25970
ZINC	ZINC000000001677

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

MENADIONE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

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