Compound Detail

CHEMBL1201049

ECONAZOLE NITRATE

💊 Approved Drug

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💊 Approved Drug

Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1201049
Name	ECONAZOLE NITRATE
Phase	Approved
Structure Type	MOL
InChI Key	DDXORDQKGIZAME-UHFFFAOYSA-N
Therapeutic	✓ Yes
Parent Compound	CHEMBL808
Active Moiety	CHEMBL808

Known Names

Econazole nitrate Ecostatin Ecostatin twin pack Ecostatin-1 Ecoza Gyno-pevaryl Gyno-pevaryl 1 cp pack Gyno-pevaryl 150 Gyno-pevaryl once NSC-243115 Pevaryl R 14,827 +6 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

381.7

MW (Da)

5.80

ALogP

HBA

HBD

27.1

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1982
Availability	Prescription
Chirality	Racemic

Routes of Administration

Topical

USAN Stem	-conazole
USAN Year	1979

Extended Properties

Molecular Formula	C18H16Cl3N3O4
MW	444.70
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-0.92

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Cytochrome P450 51 inhibitor	INHIBITOR	Lanosterol 14-alpha demethylase	✓	✓

Indications

Tinea Pedis

Activity Summary

IC50 7 meas. best 5.43

EC50 3 meas. best 4.99

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.43	5.132	3744.0	5
Neuropeptide Y receptor type 1 CHEMBL4777	IC50	5.29	5.29	5146.0	1
Neuropeptide Y receptor type 2 CHEMBL4018	IC50	5.1	5.1	8024.0	1
Protein RecA CHEMBL1741171	EC50	4.99	4.99	10200.0	1
Unchecked CHEMBL612545	EC50	4.81	4.805	15400.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	3744.0	nM	5.43	PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium...	-
Unchecked	IC50	=	4292.4	nM	5.37	PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi...	-
Neuropeptide Y receptor type 1	IC50	=	5146.0	nM	5.29	PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP...	-
Unchecked	IC50	=	5326.4	nM	5.27	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de...	-
Neuropeptide Y receptor type 2	IC50	=	8024.0	nM	5.1	PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne...	-
Unchecked	IC50	=	9932.29	nM	5.0	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi...	-
Protein RecA	EC50	=	10200.0	nM	4.99	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh...	-
Unchecked	EC50	=	15400.0	nM	4.81	PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce...	-
Unchecked	EC50	=	15900.0	nM	4.8	PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel...	-
Unchecked	IC50	=	25613.6	nM	4.59	PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co...	-

Literature References

PubMed	DOI	Target Context	# Activities
20553011	10.1021/tx1000865	Hepatotoxicity	1
20843939	10.1124/dmd.110.035113	Hepatotoxicity	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.6019/CHEMBL4513141	Candida albicans	1
-	10.6019/CHEMBL4513141	Cryptococcus neoformans	1
-	10.6019/CHEMBL4513141	Escherichia coli	1
-	10.6019/CHEMBL4513141	Klebsiella pneumoniae	1
-	10.6019/CHEMBL4513141	Pseudomonas aeruginosa	1
-	10.6019/CHEMBL4513141	Acinetobacter baumannii	1
-	10.6019/CHEMBL4513141	Staphylococcus aureus	1
-	10.6019/CHEMBL4513141	HEK293	1
-	10.6019/EOS300108	HepG2	1

Data from ChEMBL 36 via Core Engine