EcoDrugPlus


Synonyms	Acenocoumarin Acenocoumarol Mini-sintrom NSC-760052 Nicoumalone Sinthrome
Status
Molecule Category	Free-form
ATC	B01AA07
UNII	I6WP63U32H
EPA CompTox	DTXSID2022541

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	VABCILAOYCMVPS-UHFFFAOYSA-N
Smiles	CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
InChI	InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H15NO6
Molecular Weight	353.33
AlogP	3.52
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	110.65
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	26.0

Mechanism of Action	Action	Reference
Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	770	-	-	-

Target Conservation


Protein: Vitamin k epoxide reductase complex subunit 1 isoform 1 Description: Vitamin K epoxide reductase complex subunit 1 Organism : Homo sapiens Q9BQB6 ENSG00000167397

Cross References

Resources	Reference
ChEBI	53766
ChEMBL	CHEMBL397420
DrugBank	DB01418
DrugCentral	48
FDA SRS	I6WP63U32H
Human Metabolome Database	HMDB0015487
Guide to Pharmacology	9015
PubChem	54676537
SureChEMBL	SCHEMBL33543

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ACENOCOUMAROL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References