NAV

Trimegestone

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

Identification

Generic Name
Trimegestone
DrugBank Accession Number
DB13129
Background

Trimegestone has been used in trials studying the treatment of Postmenopause.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 342.479
Monoisotopic: 342.219494826
Chemical Formula
C22H30O3
Synonyms
  • Trimegestone
External IDs
  • RU 27987
  • RU-27987
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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.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
G03FA16 — Trimegestone and estrogenG03FB11 — Trimegestone and estrogen
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Oxosteroids
Direct Parent
20-oxosteroids
Alternative Parents
3-oxosteroids / Cyclohexenones / Acyloins / Alpha-hydroxy ketones / Secondary alcohols / Organic oxides / Hydrocarbon derivatives
Substituents
20-oxosteroid / 3-oxosteroid / Acyloin / Alcohol / Aliphatic homopolycyclic compound / Alpha-hydroxy ketone / Carbonyl group / Cyclic ketone / Cyclohexenone / Hydrocarbon derivative
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4658K0H08W
CAS number
74513-62-5
InChI Key
JUNDJWOLDSCTFK-MTZCLOFQSA-N
InChI
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
IUPAC Name
(10S,11S,14S,15S)-14-[(2S)-2-hydroxypropanoyl]-14,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one
SMILES
C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C

References

General References
Not Available
PubChem Compound
68926
PubChem Substance
347829250
ChemSpider
62152
ChEBI
136027
ChEMBL
CHEMBL2104765
ZINC
ZINC000004217604
Wikipedia
Trimegestone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentPostmenopausal1
1CompletedPreventionPregnancy1

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 Solubility0.0188 mg/mLALOGPS
logP3.18ALOGPS
logP3.71Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)13.7Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.37 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity99.51 m3·mol-1Chemaxon
Polarizability39.44 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-014i-0095000000-60659f27a3599bbfebd2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0009000000-91b9cce20d20b393b6b9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ar0-0179000000-86be5e4e3fbc61973913
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0039000000-2b0c00c5c753d4366948
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05mo-3149000000-c240366c81e50569ea68
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-1940000000-a1642b1623902a1c00f5
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]-184.61919
predicted
DeepCCS 1.0 (2019)
[M+H]+187.01476
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.13127
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:32 / Updated at February 21, 2021 18:54