NAV

Sonolisib

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

Identification

Generic Name
Sonolisib
DrugBank Accession Number
DB12601
Background

Sonolisib has been used in trials studying the treatment of Glioblastoma, Prostate Cancer, Advanced Solid Tumors, Advanced BRAF-mutant Cancers, and Non Small Cell Lung Cancer (NSCLC), among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 525.598
Monoisotopic: 525.236267091
Chemical Formula
C29H35NO8
Synonyms
  • Sonolisib
External IDs
  • PX-866
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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 steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Steroid lactones
Direct Parent
Steroid lactones
Alternative Parents
7-oxosteroids / 7-hydroxysteroids / 6-hydroxysteroids / 3-oxosteroids / 17-oxosteroids / Oxasteroids and derivatives / Naphthopyrans / Naphthalenes / Delta valerolactones / Pyrans
show 15 more
Substituents
17-oxosteroid / 2-oxasteroid / 3-oxosteroid / 6-hydroxysteroid / 7-hydroxysteroid / 7-oxosteroid / Aliphatic heteropolycyclic compound / Allylamine / Alpha,beta-unsaturated carboxylic ester / Amine
show 33 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
tertiary amino compound, organic heterotetracyclic compound, acetate ester, delta-lactone (CHEBI:65345)
Affected organisms
Not Available

Chemical Identifiers

UNII
987796874T
CAS number
502632-66-8
InChI Key
QIUASFSNWYMDFS-NILGECQDSA-N
InChI
InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1
IUPAC Name
(2R,3S,6E,11R,15S,17R)-6-{[bis(prop-2-en-1-yl)amino]methylidene}-8-hydroxy-3-(methoxymethyl)-2,15-dimethyl-5,9,14-trioxo-4-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-17-yl acetate
SMILES
COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C

References

General References
Not Available
PubChem Compound
9849735
PubChem Substance
347828818
ChemSpider
8025448
ChEBI
65345
ChEMBL
CHEMBL411907
ZINC
ZINC000029134545

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHigh Grade Glioma: Glioblastoma (GBM)1
2CompletedTreatmentProstate Cancer1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentHealthy Volunteers (HV)1
1, 2CompletedTreatmentIncurable Metastatic Colorectal Carcinoma / Incurable Progressive, Recurrent or Metastatic Squamous Cell Carcinoma of the Head and Neck1

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 Solubility0.0267 mg/mLALOGPS
logP2.76ALOGPS
logP2.51Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)8.49Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area119.44 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity141.15 m3·mol-1Chemaxon
Polarizability54.57 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-057i-0000940000-f975cabda13cb1f0599d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000290000-d9956544a0634ca3e8ec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000910000-298b6338f230d445d5b8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xu-0000910000-d1df8b6165682c0f299f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00tf-9000510000-b73f1df2b7f34fb02279
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9000610000-63332f165bfd0be49ad4
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-230.2394042
predicted
DarkChem Lite v0.1.0
[M-H]-216.60857
predicted
DeepCCS 1.0 (2019)
[M+H]+230.5616042
predicted
DarkChem Lite v0.1.0
[M+H]+218.7743
predicted
DeepCCS 1.0 (2019)
[M+Na]+230.8705042
predicted
DarkChem Lite v0.1.0
[M+Na]+224.88231
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:08 / Updated at February 21, 2021 18:53