neticonazole hydrochloride

CHEBI:31900 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14α-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:36807 CHEBI:36807
CHEBI:87069 CHEBI:87069
CHEBI:87071 CHEBI:87071

Chemical structure

Computed structure properties
Molecular formula	C17H22N2OS.HCl
Charge	0
Average mass	338.904 Da
Monoisotopic mass	338.12196 Da
Source	ChEBI
InChIKey	HAHMABKERDVYCH-ZUQRMPMESA-N

SMILES

CCCCCOc1ccccc1/C(=C\SC)n1ccnc1.Cl

InChI

InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;

Also called

1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride (EXACT_SYNONYM)— chebi
1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride (EXACT_SYNONYM)— chebi
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride (EXACT_SYNONYM)— chebi
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:130773-02-3
drugcentral:1902
kegg.drug:D01620
reaxys:5366849

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718
CHEBI:77884 CHEBI:77884
CHEBI:86327 CHEBI:86327

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:31900`	neticonazole hydrochloride	`antibioticmech:chebi-cec3071225`	2026-08-30

Mechanism summary

Mode of action: ERGOSTEROL_PATHWAY_INHIBITION host shared target — Assigned from ChEBI role CHEBI:75282 (ergosterol biosynthesis inhibitor), CHEBI:77884 (EC 1.14.13.70 (sterol 14α-demethylase) inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.