Seviteronel

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

Identification

Name
Seviteronel
Accession Number
DB12275
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
VT-464
Categories
UNII
8S5OIN36X4
CAS number
1610537-15-9
Weight
Average: 399.346
Monoisotopic: 399.120604071
Chemical Formula
C18H17F4N3O3
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

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
78357816
PubChem Substance
347828545
ChemSpider
32738723
ChEMBL
CHEMBL3264610
HET
6D8
Wikipedia
Seviteronel
PDB Entries
5irv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Active Not RecruitingTreatmentCastration-Resistant Prostate Cancer (CRPC) / CRPC1
1, 2RecruitingTreatmentAdvanced Breast Cancer / Cancer of the Breast / Cancer, Breast / ER+ Breast Cancer / Male Breast Cancer / Metastatic Breast Cancer (MBC) / Triple Negative Breast Cancer (TNBC)1
2Active Not RecruitingTreatmentProstate Cancer1
2CompletedTreatmentProstate 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

Taxonomy

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
Naphthalene / Phenol ether / Azole / Heteroaromatic compound / Tertiary alcohol / 1,2,3-triazole / Azacycle / Organoheterocyclic compound / Organic oxygen compound / Aromatic alcohol
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:48 / Updated on June 02, 2018 08:36