NAV

Atamestane

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

Identification

Generic Name
Atamestane
DrugBank Accession Number
DB12194
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 298.426
Monoisotopic: 298.193280077
Chemical Formula
C20H26O2
Synonyms
  • Atamestane
External IDs
  • SH-489
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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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.
DrugInteraction
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interactions in your software
Beclomethasone dipropionateThe risk or severity of edema formation can be increased when Atamestane is combined with Beclomethasone dipropionate.
BetamethasoneThe risk or severity of edema formation can be increased when Atamestane is combined with Betamethasone.
Betamethasone phosphateThe risk or severity of edema formation can be increased when Atamestane is combined with Betamethasone phosphate.
BudesonideThe risk or severity of edema formation can be increased when Atamestane is combined with Budesonide.
CiclesonideThe risk or severity of edema formation can be increased when Atamestane is combined with Ciclesonide.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
17-oxosteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / Aliphatic homopolycyclic compound / Androgen-skeleton / Carbonyl group / Cyclic ketone / Delta-1,4-steroid / Hydrocarbon derivative / Ketone
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
62GA3K28B6
CAS number
96301-34-7
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

References

General References
Not Available
PubChem Compound
57050
PubChem Substance
347828479
ChemSpider
51438
ChEMBL
CHEMBL2105987
ZINC
ZINC000004214890
Wikipedia
Atamestane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentBreast Neoplasms / Hormone Dependent Neoplasms1
3TerminatedTreatmentBreast Cancer1
3TerminatedTreatmentBreast Neoplasms / Hormone Dependent Neoplasms2

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/MSsplash10-001j-0090000000-878112b80708b85fed50
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-5cf15012f028774748fa
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-da828de5069510dff53b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-1890000000-16c43d855918c7bf926c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-0190000000-8333e03a470e0d6326a4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000m-0950000000-ce805bd603cfb70d31f7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.98521
predicted
DeepCCS 1.0 (2019)
[M+H]+176.38078
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.29332
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:35 / Updated at February 21, 2021 18:53