Sonolisib

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

Identification

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Name
Sonolisib
Accession Number
DB12601
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
PX-866
Categories
UNII
987796874T
CAS number
502632-66-8
Weight
Average: 525.598
Monoisotopic: 525.236267091
Chemical Formula
C29H35NO8
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

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
9849735
PubChem Substance
347828818
ChemSpider
8025448
ChEBI
65345
ChEMBL
CHEMBL411907

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentHealthy Volunteers1
1, 2CompletedTreatmentIncurable Metastatic Colorectal Carcinoma / Incurable Progressive, Recurrent or Metastatic Squamous Cell Carcinoma of the Head and Neck1
1, 2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Cell Carcinoma of the Head and Neck (SCCHN)1
1, 2TerminatedTreatmentAdvanced BRAF-mutant Cancers1
2CompletedTreatmentGlioblastomas1
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 Solubility0.0267 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/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 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
Steroid lactone / 17-oxosteroid / Oxosteroid / 3-oxosteroid / 7-hydroxysteroid / 7-oxosteroid / Hydroxysteroid / 6-hydroxysteroid / 2-oxasteroid / Naphthopyran
show 33 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
tertiary amino compound, organic heterotetracyclic compound, acetate ester, delta-lactone (CHEBI:65345)

Drug created on October 20, 2016 17:08 / Updated on June 04, 2019 07:40