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

Identification

Name
Nomegestrol
Accession Number
DB11636
Type
Small Molecule
Groups
Approved
Description

Nomegestrol is an ingredient in the EMA-authorised product Zoely.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
10F89177CO
CAS number
58691-88-6
Weight
Average: 328.452
Monoisotopic: 328.203844762
Chemical Formula
C21H28O3
InChI Key
KZUIYQJTUIACIG-YBZCJVABSA-N
InChI
InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1
IUPAC Name
(1S,2R,10S,11S,14R,15S)-14-acetyl-14-hydroxy-8,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,8-dien-5-one
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[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
(R)-warfarinNomegestrol may decrease the anticoagulant activities of (R)-warfarin.
(S)-WarfarinNomegestrol may decrease the anticoagulant activities of (S)-Warfarin.
3,5-diiodothyropropionic acidThe metabolism of 3,5-diiodothyropropionic acid can be decreased when combined with Nomegestrol.
4-hydroxycoumarinThe metabolism of 4-hydroxycoumarin can be decreased when combined with Nomegestrol.
5-androstenedioneThe metabolism of Nomegestrol can be decreased when combined with 5-androstenedione.
6-Deoxyerythronolide BThe metabolism of Nomegestrol can be decreased when combined with 6-Deoxyerythronolide B.
6-O-benzylguanineThe metabolism of 6-O-benzylguanine can be decreased when combined with Nomegestrol.
AbciximabNomegestrol may decrease the anticoagulant activities of Abciximab.
AbemaciclibThe metabolism of Abemaciclib can be decreased when combined with Nomegestrol.
AbirateroneThe metabolism of Nomegestrol can be decreased when combined with Abiraterone.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D07222
ChemSpider
62024
ChEBI
135993
ChEMBL
CHEMBL2105722
Wikipedia
Nomegestrol
ATC Codes
G03FB12 — Nomegestrol and estrogenG03AA14 — Nomegestrol and estradiolG03DB04 — Nomegestrol

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0122 mg/mLALOGPS
logP2.53ALOGPS
logP2.98ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.7ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.37 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity95.03 m3·mol-1ChemAxon
Polarizability37.69 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/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 gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Pregnane steroids
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids / 3-oxosteroids / 17-hydroxysteroids / Cyclohexenones / Tertiary alcohols / Alpha-hydroxy ketones / Cyclic alcohols and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
Progestogin-skeleton / 20-oxosteroid / 3-oxosteroid / 17-hydroxysteroid / Oxosteroid / Hydroxysteroid / Cyclohexenone / Alpha-hydroxy ketone / Cyclic alcohol / Tertiary alcohol
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Binkowska M, Woron J: Progestogens in menopausal hormone therapy. Prz Menopauzalny. 2015 Jun;14(2):134-43. doi: 10.5114/pm.2015.52154. Epub 2015 Jun 22. [PubMed:26327902]

Drug created on October 17, 2016 15:28 / Updated on November 02, 2018 07:13