EcoDrugPlus


Trade Names	JUBLIA
Synonyms	Clenafin Efinaconazole IDP-108 Jublia KP-103
Status
Molecule Category	Free-form
ATC	D01AC19
UNII	J82SB7FXWB
EPA CompTox	DTXSID40167787

Trade Names

JUBLIA

Synonyms

Clenafin

Efinaconazole

IDP-108

Jublia

KP-103

Status

Molecule Category

Free-form

ATC

D01AC19

UNII

J82SB7FXWB

EPA CompTox

DTXSID40167787


InChI Key	NFEZZTICAUWDHU-RDTXWAMCSA-N
Smiles	C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1
InChI	InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1

InChI Key

NFEZZTICAUWDHU-RDTXWAMCSA-N

Smiles

C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1

InChI

InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1

Property Name	Value
Molecular Formula	C18H22F2N4O
Molecular Weight	348.4
AlogP	2.48
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	54.18
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C18H22F2N4O

Molecular Weight

348.4

AlogP

2.48

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

54.18

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Lanosterol 14-alpha demethylase inhibitor	INHIBITOR	FDA

Mechanism of Action

Action

Reference

Lanosterol 14-alpha demethylase inhibitor

INHIBITOR

FDA

Resources	Reference
ChEBI	82718
ChEMBL	CHEMBL2103877
DrugBank	DB09040
DrugCentral	4874
FDA SRS	J82SB7FXWB
PubChem	489181
SureChEMBL	SCHEMBL300738
ZINC	ZINC000000006251

Resources

Reference

ChEBI

ChEMBL

DrugBank

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

EFINACONAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References