Eltanolone

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

Identification

Generic Name
Eltanolone
DrugBank Accession Number
DB12308
Background

Eltanolone is under investigation in clinical trial NCT02603926 (Treatment of Fragile-X Associated Tremor/Ataxia Syndrome (FXTAS) With Allopregnanolone).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 318.501
Monoisotopic: 318.255880335
Chemical Formula
C21H34O2
Synonyms
  • eltanolona
  • Eltanolone
  • Pregnanolone
External IDs
  • KABI 2213
  • KABI-2213
  • NSC-82867
  • SKF-6455

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
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Eltanolone is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Eltanolone.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Eltanolone.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Eltanolone.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Eltanolone.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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-alpha-hydroxysteroids / Secondary alcohols / Ketones / Cyclic alcohols and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
20-oxosteroid / 3-alpha-hydroxysteroid / 3-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Carbonyl group / Cyclic alcohol / Hydrocarbon derivative / Hydroxysteroid / Ketone
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
3alpha-hydroxy steroid, 3-hydroxy-5beta-pregnan-20-one (CHEBI:1712) / C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030175)
Affected organisms
Not Available

Chemical Identifiers

UNII
BXO86P3XXW
CAS number
128-20-1
InChI Key
AURFZBICLPNKBZ-YZRLXODZSA-N
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
IUPAC Name
1-[(1S,2S,5R,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one
SMILES
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

References

General References
Not Available
Human Metabolome Database
HMDB0062782
PubChem Compound
31402
PubChem Substance
347828573
ChemSpider
29132
ChEBI
1712
ChEMBL
CHEMBL210952
ZINC
ZINC000003800039
PDBe Ligand
P9N
Wikipedia
Pregnanolone
PDB Entries
5o8f / 8bgi

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00136 mg/mLALOGPS
logP4.28ALOGPS
logP3.99Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)18.3Chemaxon
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity92.91 m3·mol-1Chemaxon
Polarizability38.36 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-1174-0292000000-fb2c0f3a1cfddb10cb08
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uyi-0049000000-3a00754fe2dd7e2ee7c0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0019000000-c0180e3c9cfb2052787f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kyi-1975000000-6139799251f855b84ea0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0097000000-ee1f1a57d89be987e8cf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0094000000-d228d0f8ec26e8173ad2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-2920000000-49c11f6a3c5939a142f0
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]-187.3513479
predicted
DarkChem Lite v0.1.0
[M-H]-187.7322479
predicted
DarkChem Lite v0.1.0
[M-H]-174.34512
predicted
DeepCCS 1.0 (2019)
[M+H]+188.1641479
predicted
DarkChem Lite v0.1.0
[M+H]+189.1032479
predicted
DarkChem Lite v0.1.0
[M+H]+176.24052
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.8617479
predicted
DarkChem Lite v0.1.0
[M+Na]+188.3222479
predicted
DarkChem Lite v0.1.0
[M+Na]+181.92354
predicted
DeepCCS 1.0 (2019)

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