NITREFAZOLE


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


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

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H8N4O4
Molecular Weight	248.2
AlogP	2.0
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	3.0
Polar Surface Area	104.1
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Bioactivity

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

Cross References

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

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).