EcoDrugPlus


Synonyms	Oxiconazole Oxistat Oxizole
Status
Molecule Category	Free-form
ATC	D01AC11 G01AF17
UNII	C668Q9I33J
EPA CompTox	DTXSID8040690

Synonyms

Oxiconazole

Oxistat

Oxizole

Status

Molecule Category

Free-form

ATC

D01AC11 G01AF17

UNII

C668Q9I33J

EPA CompTox

DTXSID8040690


InChI Key	QRJJEGAJXVEBNE-HKOYGPOVSA-N
Smiles	Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChI	InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+

InChI Key

QRJJEGAJXVEBNE-HKOYGPOVSA-N

Smiles

Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

InChI

InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+

Property Name	Value
Molecular Formula	C18H13Cl4N3O
Molecular Weight	429.13
AlogP	6.12
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	39.41
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H13Cl4N3O

Molecular Weight

429.13

AlogP

6.12

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

39.41

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

26.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	24.9

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Oxidoreductase

24.9

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	24.9

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

24.9

Resources	Reference
ChEBI	7825
ChEMBL	CHEMBL1262
DrugBank	DB00239
DrugCentral	3408
FDA SRS	C668Q9I33J
KEGG	C08074
PubChem	5353853
SureChEMBL	SCHEMBL4540297
ZINC	ZINC000003873295

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

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

OXICONAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References