NAV

Vilaprisan

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

Identification

Generic Name
Vilaprisan
DrugBank Accession Number
DB11971
Background

Vilaprisan has been used in trials studying the treatment of Leiomyoma and Clinical Trial, Phase I.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 544.58
Monoisotopic: 544.170671403
Chemical Formula
C27H29F5O4S
Synonyms
  • Vilaprisan
External IDs
  • BAY 1002670
  • BAY-1002670
  • BAY1002670
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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

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Oxosteroids
Direct Parent
Oxosteroids
Alternative Parents
Halogenated steroids / 3-oxosteroids / 17-hydroxysteroids / Benzenesulfonyl compounds / Cyclohexenones / Tertiary alcohols / Sulfones / Fluorohydrins / Cyclic alcohols and derivatives / Organofluorides
show 3 more
Substituents
17-hydroxysteroid / 20-halo-steroid / 3-oxosteroid / Alcohol / Alkyl fluoride / Alkyl halide / Aromatic homopolycyclic compound / Benzenesulfonyl group / Benzenoid / Carbonyl group
show 20 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
IN59K53GI9
CAS number
1262108-14-4
InChI Key
JUFWQQVHQFDUOD-ANRPBIDPSA-N
InChI
InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1
IUPAC Name
(10S,11S,14S,15S,17R)-14-hydroxy-17-(4-methanesulfonylphenyl)-15-methyl-14-(1,1,2,2,2-pentafluoroethyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one
SMILES
C[C@]12C[C@H](C3=CC=C(C=C3)S(C)(=O)=O)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F

References

General References
Not Available
PubChem Compound
50915138
PubChem Substance
347828295
ChemSpider
32699892
ChEMBL
CHEMBL3989936
Wikipedia
Vilaprisan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentUterine Fibroids (Leiomyomas)1
3TerminatedTreatmentUterine Fibroids (Leiomyomas)3
3TerminatedTreatmentUterine Fibroids and Heavy Menstrual Bleeding1
3WithdrawnTreatmentUterine Fibroids (Leiomyomas)1
2CompletedTreatmentUterine Fibroids (Leiomyomas)2

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 Solubility0.0175 mg/mLALOGPS
logP4.13ALOGPS
logP4.46Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)11.81Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area71.44 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity129.19 m3·mol-1Chemaxon
Polarizability51.15 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-002b-0001090000-06e892bc14221e02baad
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000090000-06c99f70158e393b2a09
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-0304090000-660862c58b655582dfeb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000090000-0de68470e9662370fc94
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00or-4002090000-d3c065fde08b2846dcb3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gx1-0916520000-7a63da6b4fe1e07813c0
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.31264
predicted
DeepCCS 1.0 (2019)
[M+H]+227.55354
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.46606
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:07 / Updated at February 21, 2021 18:53