VORICONAZOLE

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Search structure


Trade Names	VFEND VORICONAZOLE
Synonyms	NSC-759888 UK-109,496 UK-109496 Vfend Voriconazole
Status
Molecule Category	Free-form
ATC	J02AC03
UNII	JFU09I87TR
EPA CompTox	DTXSID5046485

Structure


InChI Key	BCEHBSKCWLPMDN-MGPLVRAMSA-N
Smiles	C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChI	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H14F3N5O
Molecular Weight	349.32
AlogP	2.18
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	76.72
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Pharmacology

Mechanism of Action	Action	Reference
Cytochrome P450 51 inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2	-	-	-	-	25
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A6	-	-	-	-	25
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6	-	790	-	340-400	-
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8	-	-	-	-	25
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	-	-	-	25
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	-	-	660	-
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A5	-	-	-	660	-
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1	-	-	56-429	-	-
Enzyme Oxidoreductase	-	-	-	660	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Aspergillus fumigatus	-	-	56-429	-	-
Candida albicans	-	-	165-510	-	-
Homo sapiens	-	160-790	-	340-660	14-49
Trypanosoma cruzi	-	96.5	-	-	-

Environmental Exposure

Environmental Exposure Map

Countries
India

Cross References

Resources	Reference
ChEBI	10023
ChEMBL	CHEMBL638
DrugBank	DB00582
DrugCentral	2846
FDA SRS	JFU09I87TR
Human Metabolome Database	HMDB0014720
KEGG	C07622
PDB	VOR
PharmGKB	PA10233
PubChem	71616
SureChEMBL	SCHEMBL36233
ZINC	ZINC000000014864

CONTENTS

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...

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Last update: Monday, 3 November 2025