ECONAZOLE NITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H438WYN10E

Structure
InChI Key DDXORDQKGIZAME-UHFFFAOYSA-N
Smile Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChI
InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16Cl3N3O4
Molecular Weight 444.7
AlogP 5.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 27.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 51 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
10200 - - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide Y receptor
- 5146 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 127.45

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
11.13
Skin and subcutaneous tissue disorders
9.86
Injury, poisoning and procedural complications
9.01
Vascular disorders
8.45
Investigations
6.76
Infections and infestations
6.06
Renal and urinary disorders
5.77
Metabolism and nutrition disorders
5.63
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
5.35
Gastrointestinal disorders
3.94
Nervous system disorders
3.66
Cardiac disorders
3.52
Respiratory, thoracic and mediastinal disorders
3.52
Reproductive system and breast disorders
2.82
Hepatobiliary disorders
2.68
Immune system disorders
2.54
Blood and lymphatic system disorders
2.11
Endocrine disorders
2.11

Cross References

Resources Reference
ChEBI 4755
ChEMBL CHEMBL1201049
EPA CompTox DTXSID6025226
FDA SRS H438WYN10E
Guide to Pharmacology 2446
KEGG C08069
PubChem 68589
SureChEMBL SCHEMBL36213
ZINC ZINC00643055
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