This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Elacestrant
- DrugBank Accession Number
- DB06374
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Elacestrant (DB06374)
- Weight
- Average: 458.646
Monoisotopic: 458.293328472 - Chemical Formula
- C30H38N2O2
- Synonyms
- Elacestrant
- External IDs
- ER-306323
- RAD-1901
- RAD1901
Pharmacology
- Indication
Investigated for use/treatment in menopause and female hormonal deficiencies/abnormalities.
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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Not Available
- Mechanism of action
RAD1901 is a novel selective estrogen receptor modulator(SERM). SERMs are small molecules that bind to and selectively modulate estrogen receptors. These molecules have the ability to stimulate or block estrogen's activity in different types of tissue, functioning as estrogen receptor agonists in some tissues and as estrogen receptor antagonists in others. RAD1901 has potential to reduce vasomotor symptoms, along with a simultaneous bone-protective effect, without stimulating breast or uterine tissues. RAD1901 is distinctive from other SERMs in its unique biological profile, combined with its significant ability to penetrate the blood-brain barrier, which enables RAD1901 to function as an estrogen agonist within the central nervous system and thereby relieve hot flashes.
Target Actions Organism UEstrogen receptor alpha Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- FM6A2627A8
- CAS number
- 722533-56-4
- InChI Key
- SIFNOOUKXBRGGB-AREMUKBSSA-N
- InChI
- InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1
- IUPAC Name
- (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
- SMILES
- CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 57583807
- BindingDB
- 349630
- PDBe Ligand
- I0V
- Wikipedia
- Elacestrant
- PDB Entries
- 7te7
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Breast Cancer 1 2 Completed Treatment Hot Flashes 1 2 Terminated Treatment Hot Flashes / Vasomotor Symptoms Associated With Menopause 1 1 Completed Treatment Advanced ER+, HER2-Negative Breast Cancer 1 1 Completed Treatment Metastatic Breast Cancer 1 1, 2 Not Yet Recruiting Treatment Brain Diseases / Breast Diseases / Central Nervous System Disorder / Central Nervous System Neoplasms / Neoplasms by Site / Neoplasms, Brain / Neoplasms, Breast / Neoplastic Disease 1 1, 2 Recruiting Treatment Breast Cancer 1 0 Recruiting Treatment Breast Cancer / Hormone Receptor Positive Breast Carcinoma 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00035 mg/mL ALOGPS logP 6.54 ALOGPS logP 6.23 ChemAxon logS -6.1 ALOGPS pKa (Strongest Acidic) 10.58 ChemAxon pKa (Strongest Basic) 9.96 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 44.73 Å2 ChemAxon Rotatable Bond Count 10 ChemAxon Refractivity 143.17 m3·mol-1 ChemAxon Polarizability 55.16 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissu...
- Gene Name
- ESR1
- Uniprot ID
- P03372
- Uniprot Name
- Estrogen receptor
- Molecular Weight
- 66215.45 Da
Drug created at March 19, 2008 16:28 / Updated at February 21, 2021 18:52