Molecule Details
InChIKeyJKKFKPJIXZFSSB-CBZIJGRNSA-N
Canonical SMILESC[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL6.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04574
Drug NameEstrone sulfate
CAS Number481-97-0
Groups approved
ATC Codes nan
DescriptionEstrone sulfate (as estropipate) is a form of estrogen. It has several uses such as: alleviate symptoms of menopause as hormone replacement therapy, treatment some types of infertility, treatment of some conditions leading to underdevelopment of female sexual characteristics, treatment of vaginal at...

Categories: 17-Ketosteroids Adrenal Cortex Hormones Contraceptive Agents, Hormonal Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Estradiol Congeners Estranes Estrenes Estrogens Estrogens, Conjugated (USP) Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormonal Contraceptives for Systemic Use Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Ketosteroids MATE 1 Substrates MATE 2 Substrates MATE substrates NTCP Inhibitors Reproductive Control Agents Steroids Thyroxine-binding globulin inducers
Cross-references: BindingDB: 50366524 ChEBI: 17474 CHEMBL494753 ChemSpider: 2272513 Drugs Product Database (DPD): 4601 C02538 PharmGKB: PA165958342 PubChem:3001028 PubChem:46508976 Wikipedia: Estropipate ZINC: ZINC000003876186
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9Y6L6 SLCO1B1 Homo sapiens Human PF07648 PF03137 7.3 Ki ChEMBL;BindingDB
P33527 ABCC1 Homo sapiens Human PF00664 PF00005 PF24357 6.3 Ki ChEMBL;BindingDB
DrugBank Target Actions (11)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P04278 SHBG Sex hormone-binding globulin binder carriers
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P03372 ESR1 Estrogen receptor agonist targets
Q92731 ESR2 Estrogen receptor beta agonist targets
Q14973 SLC10A1 Hepatic sodium/bile acid cotransporter inhibitor transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 substrate transporters
Q96FL8 SLC47A1 Multidrug and toxin extrusion protein 1 substrate transporters