Atamestane

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

Identification

Name
Atamestane
Accession Number
DB12194
Type
Small Molecule
Groups
Investigational
Description

Atamestane has been used in trials studying the treatment of Breast Cancer, Breast Neoplasms, and Neoplasms, Hormone-Dependent.

Structure
Thumb
Synonyms
Not Available
External IDs
SH-489
Categories
UNII
62GA3K28B6
CAS number
96301-34-7
Weight
Average: 298.426
Monoisotopic: 298.193280077
Chemical Formula
C20H26O2
InChI Key
PEPMWUSGRKINHX-TXTPUJOMSA-N
InChI
InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1
IUPAC Name
(1S,2S,10R,11S,15S)-2,3,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione
SMILES
CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C

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
DrugInteraction
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Atamestane.
1,10-PhenanthrolineThe risk or severity of adverse effects can be increased when Atamestane is combined with 1,10-Phenanthroline.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Atamestane.
AcemetacinThe risk or severity of adverse effects can be increased when Acemetacin is combined with Atamestane.
AlclofenacThe risk or severity of adverse effects can be increased when Alclofenac is combined with Atamestane.
AlclometasoneThe risk or severity of edema formation can be increased when Atamestane is combined with Alclometasone.
AlminoprofenThe risk or severity of adverse effects can be increased when Alminoprofen is combined with Atamestane.
AmbenoniumThe risk or severity of adverse effects can be increased when Atamestane is combined with Ambenonium.
AmcinonideThe risk or severity of edema formation can be increased when Atamestane is combined with Amcinonide.
AndrographolideThe risk or severity of adverse effects can be increased when Andrographolide is combined with Atamestane.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
57050
PubChem Substance
347828479
ChemSpider
51438
ChEMBL
CHEMBL2105987
Wikipedia
Atamestane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentNeoplasms, Breast / Neoplasms, Hormone-Dependent1
3TerminatedTreatmentCancer, Breast1
3TerminatedTreatmentNeoplasms, Breast / Neoplasms, Hormone-Dependent2

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 Solubility0.0156 mg/mLALOGPS
logP3.28ALOGPS
logP4.17ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)18.79ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity88.98 m3·mol-1ChemAxon
Polarizability34.42 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
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 androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Androstane steroids
Direct Parent
Androgens and derivatives
Alternative Parents
3-oxo delta-1,4-steroids / 17-oxosteroids / Delta-1,4-steroids / Cyclic ketones / Organic oxides / Hydrocarbon derivatives
Substituents
Androgen-skeleton / Oxosteroid / 17-oxosteroid / 3-oxosteroid / 3-oxo-delta-1,4-steroid / Delta-1,4-steroid / Cyclic ketone / Ketone / Organic oxygen compound / Organic oxide
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:35 / Updated on October 01, 2018 15:11