Molecule Details
| InChIKey | GKIRPKYJQBWNGO-OCEACIFDSA-N |
|---|---|
| Compound Name | Enclomiphene |
| Canonical SMILES | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06735 |
|---|---|
| Drug Name | Enclomiphene |
| CAS Number | 15690-57-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzene Derivatives Benzylidene Compounds Clomiphene Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Estrogen Antagonists Estrogen Receptor Modulators Fertility Agents Fertility Agents, Female Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Reproductive Control Agents Selective Estrogen Receptor Modulators Stilbenes
Cross-references: BindingDB: 55354 CHEMBL954 ChemSpider: 1265967 PDB: 53Q PharmGKB: PA449046 PubChem:1548953 PubChem:347827784 Wikipedia: Enclomifene ZINC: ZINC000001530601
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15125 | EBP | Homo sapiens | Human | PF05241 | 9.0 | Ki | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.6 | IC50 | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 8.0 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 6.5 | IC50 | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.3 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.2 | IC50 | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.1 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P32352 | ERG2 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF04622 | 6.8 | Ki | ChEMBL;BindingDB |