Molecule Details
| InChIKey | LEZWWPYKPKIXLL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Econazole |
| Canonical SMILES | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01127 |
|---|---|
| Drug Name | Econazole |
| CAS Number | 27220-47-9 |
| Groups | approved |
| ATC Codes | G01AF05 D01AC03 G01AF20 G01AF55 |
| Description | A broad spectrum antimycotic with some action against Gram positive bacteria. It is used topically in dermatomycoses also orally and parenterally. |
Categories: 14-alpha Demethylase Inhibitors Anti-Infective Agents Antifungal Agents Antifungal Agents (Vaginal) Antifungals for Dermatological Use Antifungals for Topical Use Azole Antifungals Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 Enzyme Inhibitors Dermatologicals Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Imidazole Derivatives Imidazole and Triazole Derivatives Imidazoles P-glycoprotein inhibitors Steroid Synthesis Inhibitors
Cross-references: BindingDB: 31773 ChEBI: 82873 CHEMBL808 ChemSpider: 3086 Drugs Product Database (DPD): 2110 Guide to Pharmacology: 2446 IUPHAR: 2446 C08068 D03936 PharmGKB: PA164746010 PubChem:3198 PubChem:46508881 RxCUI: 3743 Therapeutic Targets Database: DAP001269 Wikipedia: Econazole
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24557 | TBXAS1 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.4 | IC50 | ChEMBL |
| Q16850 | CYP51A1 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.5 | IC50 | ChEMBL |
| Q9UNU6 | CYP8B1 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 6.5 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL |
| Q7Z2W7 | TRPM8 | Homo sapiens | Human | PF00520 PF18139 PF25508 | 6.4 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.1 | IC50 | ChEMBL |
| P9WPP7 | cyp121 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00067 | 7.1 | Kd | ChEMBL;BindingDB |
| P9WPP8 | cyp51 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.7 | Kd | BindingDB |
| P9WPL4 | cyp142 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.5 | Kd | BindingDB |
| P9WPL0 | cyp144 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.1 | Kd | BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P11511 | CYP19A1 | Aromatase | inhibitor | enzymes |
| P10613 | ERG11 | Lanosterol 14-alpha demethylase | antagonist | targets |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | partial agonist | targets |