TIOCONAZOLE


Trade Names	TIOCONAZOLE TZ-3 VAGISTAT-1
Synonyms	NSC-759169 Tioconazole Trosyl Tz-3 UK-20,349 UK-20349 Vagistat Vagistat-1
Status
Molecule Category	Free-form
ATC	D01AC07 G01AF08
UNII	S57Y5X1117
EPA CompTox	DTXSID3046619


InChI Key	QXHHHPZILQDDPS-UHFFFAOYSA-N
Smiles	Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChI	InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2

Property Name	Value
Molecular Formula	C16H13Cl3N2OS
Molecular Weight	387.72
AlogP	5.86
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	27.05
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Cytochrome P450 51 inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 17 Cytochrome P450 family 17A Cytochrome P450 17A1	-	-	-	505	-
Enzyme Oxidoreductase	-	-	-	-	0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	505	0

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	77898
ChEMBL	CHEMBL1200438
DrugBank	DB01007
DrugCentral	2675
FDA SRS	S57Y5X1117
Human Metabolome Database	HMDB0015142
KEGG	C08082
PharmGKB	PA164746156
PubChem	5482
SureChEMBL	SCHEMBL41354
ZINC	ZINC00897385

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

TIOCONAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References