GDC-0810

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
GDC-0810
Accession Number
DB12253
Type
Small Molecule
Groups
Investigational
Description

ARN-810 has been used in trials studying the basic science and treatment of Breast Cancer.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
9MM2R1A06R
CAS number
1365888-06-7
Weight
Average: 446.91
Monoisotopic: 446.1197338
Chemical Formula
C26H20ClFN2O2
InChI Key
BURHGPHDEVGCEZ-KJGLQBJMSA-N
InChI
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
IUPAC Name
(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
SMILES
CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C1=CC=C2NN=CC2=C1)C1=CC=C(F)C=C1Cl

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
56941241
PubChem Substance
347828528
ChemSpider
35308225
BindingDB
50090462
ChEMBL
CHEMBL3581693
Wikipedia
Brilanestrant

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceCancer, Breast1
1CompletedBasic ScienceHealthy Volunteers1
1, 2Active Not RecruitingTreatmentCancer, Breast1
2Active Not RecruitingTreatmentCancer, Breast1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000198 mg/mLALOGPS
logP6.36ALOGPS
logP6.72ChemAxon
logS-6.4ALOGPS
pKa (Strongest Acidic)3.87ChemAxon
pKa (Strongest Basic)1.63ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area65.98 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity135.99 m3·mol-1ChemAxon
Polarizability46.2 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Cinnamic acids / Phenylpropanes / Indazoles / Styrenes / Chlorobenzenes / Fluorobenzenes / Aryl chlorides / Aryl fluorides / Pyrazoles / Heteroaromatic compounds
show 9 more
Substituents
Stilbene / Cinnamic acid or derivatives / Cinnamic acid / Indazole / Phenylpropane / Benzopyrazole / Styrene / Chlorobenzene / Fluorobenzene / Halobenzene
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:43 / Updated on June 04, 2019 07:34