Efinaconazole (CED0011372)

Record Information

Version

1.0

Creation Date

2026-04-05 10:48:52 UTC

Update Date

2026-08-20 00:45:06 UTC

Accession Number

CHEM099547

Identification

Common Name

Efinaconazole

Class

Small Molecule

Description

Efinaconazole is an organic compound with the formula C18H22F2N4O and an average molecular weight of 348.40 g/mol. Efinaconazole belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. The compound is recorded as being found in or released from three sources: antennas within electrical and electronic equipment, non electric simulated smoking devices among household cleaning and consumer products, and antifungals for dermatological use within healthcare, pharmaceuticals and veterinary products. The recorded route of exposure for this compound is topical. In terms of its biological activity, efinaconazole acts as an inhibitor of the protein target lanosterol 14-alpha demethylase (ERG11).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂F₂N₄O

Average Molecular Mass

348.398 g/mol

Monoisotopic Mass

348.176 g/mol

CAS Registry Number

164650-44-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@@H](N1CCC(=C)CC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1

InChI Identifier

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

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-2960000000-1334772d8096be70cc21	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1019000000-e2e9e0ea70789e8520e5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ab9-1769000000-d17048ba17c012e3c5d7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-9310000000-acfe4442dbe124de1d9c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0159-9061000000-1f9400819f7271707301	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9012000000-bfd3a7ad5abe5c76b4d8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014l-9000000000-fa82cd84c78587318e16	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
421.0	Log mg/kg	[240:750]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
299	Antifungals for dermatological use	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available

Pathways

3 pathways

Efinaconazole Action Pathway

Efinaconazole Drug Metabolism

Efinaconazole Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	78.472
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	161.849
Click to view 3D structure	Sterol 14-alpha demethylase	Q7Z1V1	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	0.856341
Click to view 3D structure	Lanosterol 14-alpha demethylase	P10613	Yeast	Predicted (SEA)	0.389246
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	110.234
Click to view 3D structure	14-alpha sterol demethylase	Q96W81	Neosartorya fumigata (Aspergillus fumigatus)	Predicted (SEA)	0.0778492
Click to view 3D structure	Cholesterol side-chain cleavage enzyme, mitochondrial	P00189	Bos taurus	Predicted (SEA)	0.311397
Click to view 3D structure	Sterol 14-alpha demethylase cyp51A	Q4WNT5	Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus)	Predicted (SEA)	0.0778492
Click to view 3D structure	Lanosterol 14-alpha demethylase	B8NUK6	Aspergillus	Predicted (SEA)	0.155698
Click to view 3D structure	Lanosterol 14-alpha demethylase	G4WW85	Aspergillus	Predicted (SEA)	0.155698
Click to view 3D structure	Lanosterol 14-alpha demethylase	Q9P8R0	Aspergillus	Predicted (SEA)	0.155698
Click to view 3D structure	Coenzyme A biosynthesis bifunctional protein CoaBC	P9WNZ1	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	0.778492
Click to view 3D structure	UDP-glucuronosyltransferase 1A4	P22310	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Heat shock protein 90 homolog	P46598	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	4.98235
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	146.746
Click to view 3D structure	Cytochrome P450 14alpha-demethylase	A1XG20	Penicillium digitatum	Predicted (SEA)	2.17978
Click to view 3D structure	Imidazoleglycerol-phosphate dehydratase	P0CO23	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	1.24559
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	382.707
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	5109.09
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3943.69
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6313.34
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	4463.02
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	4149.52
Click to view 3D structure	Ribosomal protein S6 kinase beta-1	P23443	Humans	Predicted (SEA)	4150.53
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	4467.07
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	4925.68
Click to view 3D structure	Serine/threonine-protein kinase PAK 1	Q13153	Humans	Predicted (SEA)	4168.28