Isoconazole

Summary

Isoconazole (CHEMBL1571863) is an approved small molecule (ATC D01AC05).

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: D01AC05 (+1 more)
• Chemistry: 416.1 Da · C18H14Cl4N2O

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1571863
Name	Isoconazole
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	3760
ChEBI	CHEBI:83667
ATC	D01AC05, G01AF07
Molecular formula	C18H14Cl4N2O
Molecular weight	416.1
InChIKey	MPIPASJGOJYODL-UHFFFAOYSA-N

SMILES: C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

IUPAC name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole

ChEBI definition: A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.

Also known as: Isoconazol, Isoconazole, Isoconazole nitrate, R 15,454, R-15,454, R-15,454 [AS NITRATE SALT], R-15454, R-15454 FREE BASE, R15454 FREE BASE, Travogyn, SID56463710, ISOCONAZOLE

Patent coverage: 3,148 distinct patent families (12,144 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 12,104 (100%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 18 (assay-derived). Sample: Glucocorticoid receptor, Estrogen receptor, Thromboxane A2 receptor, Progesterone receptor, Beta-1 adrenergic receptor, D(2) dopamine receptor, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, Kappa-type opioid receptor, Sodium-dependent dopamine transporter.

Bioactivity

ChEMBL activities: 9 potent at pChembl ≥ 5 of 19 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
NR1I2	6.3	AC50	500	nM	CHEMBL_ACT_25224643
CYP17A1	6.21	Ki	610	nM	CHEMBL_ACT_1054851
KCNH2	6	AC50	1000	nM	CHEMBL_ACT_25118768
NR1I2	6	AC50	1000	nM	CHEMBL_ACT_25188620
ESR1	5.4	AC50	4000	nM	CHEMBL_ACT_25167837
Q63921	5.18	AC50	6600	nM	CHEMBL_ACT_25175006
OPRK1	5.05	AC50	8832	nM	CHEMBL_ACT_25130001
DRD2	5.05	AC50	8900	nM	CHEMBL_ACT_25140960
PGR	5.02	AC50	9600	nM	CHEMBL_ACT_25222582

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).