EcoDrugPlus


Synonyms	EMD 15 700 EMD-15-700 Nitrefazole
Status
Molecule Category	Free-form
UNII	VFD629099M
EPA CompTox	DTXSID2048826

Synonyms

EMD 15 700

EMD-15-700

Nitrefazole

Status

Molecule Category

Free-form

UNII

VFD629099M

EPA CompTox

DTXSID2048826


InChI Key	NMTBSNPBIGRZBL-UHFFFAOYSA-N
Smiles	Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1
InChI	InChI=1S/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3

InChI Key

NMTBSNPBIGRZBL-UHFFFAOYSA-N

Smiles

Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1

InChI

InChI=1S/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3

Property Name	Value
Molecular Formula	C10H8N4O4
Molecular Weight	248.2
AlogP	2.0
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	104.1
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H8N4O4

Molecular Weight

248.2

AlogP

2.0

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

3.0

Polar Surface Area

104.1

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

18.0

Mechanism of Action	Action	Reference
Alcohol dehydrogenase inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Alcohol dehydrogenase inhibitor

INHIBITOR

PubMed PubMed PubMed PubMed PubMed

Resources	Reference
ChEBI	135009
ChEMBL	CHEMBL1909285
DrugCentral	1946
FDA SRS	VFD629099M
PubChem	71900
SureChEMBL	SCHEMBL1606941
ZINC	ZINC000001842965

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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

NITREFAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References