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

Identification

Generic Name
Seviteronel
DrugBank Accession Number
DB12275
Background

Seviteronel has been used in trials studying the treatment of CRPC, Prostate Cancer, and Castration-resistant Prostate Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 399.346
Monoisotopic: 399.120604071
Chemical Formula
C18H17F4N3O3
Synonyms
  • Seviteronel
External IDs
  • VT-464

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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Phenol ethers / Triazoles / Tertiary alcohols / Heteroaromatic compounds / Azacyclic compounds / Organonitrogen compounds / Organofluorides / Hydrocarbon derivatives / Aromatic alcohols / Alkyl fluorides
Substituents
1,2,3-triazole / Alcohol / Alkyl fluoride / Alkyl halide / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8S5OIN36X4
CAS number
1610537-15-9
InChI Key
ZBRAJOQFSNYJMF-SFHVURJKSA-N
InChI
InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1
IUPAC Name
(1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-5-yl)propan-1-ol
SMILES
CC(C)[C@@](O)(C1=CN=NN1)C1=CC=C2C=C(OC(F)F)C(OC(F)F)=CC2=C1

References

General References
Not Available
PubChem Compound
78357816
PubChem Substance
347828545
ChemSpider
32738723
ChEMBL
CHEMBL3264610
ZINC
ZINC000139920592
PDBe Ligand
6D8
Wikipedia
Seviteronel
PDB Entries
5irv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCastration Resistant Prostate Cancer / CRPC1
2CompletedTreatmentProstate Cancer2
2TerminatedTreatmentAndrogen Receptor Gene Overexpression / Solid Tumors1
1, 2CompletedTreatmentAdvanced Breast Cancer / Breast Cancer / ER+ Breast Cancer / Male Breast Cancer / Metastatic Breast Cancer / Triple Negative Breast Cancer1
1, 2CompletedTreatmentCastration Resistant Prostate Cancer / CRPC1
1, 2Not Yet RecruitingTreatmentTriple Negative Breast Cancer1

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 Solubility0.0463 mg/mLALOGPS
logP3.29ALOGPS
logP4.39Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8Chemaxon
pKa (Strongest Basic)0.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.26 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity92.31 m3·mol-1Chemaxon
Polarizability35.53 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at October 20, 2016 21:48 / Updated at February 21, 2021 18:53