Clascoterone

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

Identification

Name
Clascoterone
Accession Number
DB12499
Type
Small Molecule
Groups
Investigational
Description

Clascoterone has been used in trials studying the treatment of Acne Vulgaris.

Structure
Thumb
Synonyms
  • 11-deoxycortisol 17α-propionate
  • Cortexolone 17alpha-propionate
  • Cortexolone 17α-propionate
External IDs
CB-03-01
International/Other Brands
Breezula / Winlevi
Categories
UNII
XN7MM8XG2M
CAS number
19608-29-8
Weight
Average: 402.531
Monoisotopic: 402.240624195
Chemical Formula
C24H34O5
InChI Key
GPNHMOZDMYNCPO-PDUMRIMRSA-N
InChI
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
IUPAC Name
(1S,2R,10R,11S,14R,15S)-14-(2-hydroxyacetyl)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl propanoate
SMILES
[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[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
Capromab pendetideClascoterone may decrease effectiveness of Capromab pendetide as a diagnostic agent.
Conestat alfaThe risk or severity of thromboembolism can be increased when Clascoterone is combined with Conestat alfa.
Human C1-esterase inhibitorThe risk or severity of thromboembolism can be increased when Clascoterone is combined with Human C1-esterase inhibitor.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11750009
PubChem Substance
347828732
ChemSpider
9924713
ChEMBL
CHEMBL3590187
Wikipedia
Clascoterone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingOtherHealthy Volunteers1
2CompletedTreatmentAcne Vulgaris2
2CompletedTreatmentAndrogenetic Alopecia1
2RecruitingTreatmentAcne Vulgaris1
3Enrolling by InvitationTreatmentAcne Vulgaris1
3RecruitingTreatmentAcne Vulgaris2

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 Solubility0.00753 mg/mLALOGPS
logP4.1ALOGPS
logP3.73ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)13.78ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area80.67 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity109.59 m3·mol-1ChemAxon
Polarizability44.85 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 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Hydroxysteroids
Direct Parent
21-hydroxysteroids
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives / Steroid esters / 20-oxosteroids / 3-oxo delta-4-steroids / Delta-4-steroids / Cyclohexenones / Alpha-acyloxy ketones / Alpha-hydroxy ketones / Carboxylic acid esters / Monocarboxylic acids and derivatives
show 3 more
Substituents
Progestogin-skeleton / 21-hydroxysteroid / Pregnane-skeleton / Steroid ester / 20-oxosteroid / 3-oxo-delta-4-steroid / 3-oxosteroid / Oxosteroid / Delta-4-steroid / Cyclohexenone
show 15 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:38 / Updated on November 02, 2018 07:26