Sotrastaurin

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
Sotrastaurin
Accession Number
DB12369
Type
Small Molecule
Groups
Investigational
Description

Sotrastaurin has been used in trials studying the basic science and treatment of Uveal Melanoma, Richter Syndrome, Prolymphocytic Leukemia, Recurrent Mantle Cell Lymphoma, and Recurrent Small Lymphocytic Lymphoma, among others.

Structure
Thumb
Synonyms
  • Sotrastaurin
  • sotrastaurina
Product Ingredients
IngredientUNIICASInChI Key
Sotrastaurin AcetateR1SIA15KZ1908351-31-5RVEUYBMXVVDLFO-UHFFFAOYSA-N
Categories
UNII
7I279E1NZ8
CAS number
425637-18-9
Weight
Average: 438.4812
Monoisotopic: 438.180423978
Chemical Formula
C25H22N6O2
InChI Key
OAVGBZOFDPFGPJ-UHFFFAOYSA-N
InChI
InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
IUPAC Name
5-hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one
SMILES
CN1CCN(CC1)C1=NC2=CC=CC=C2C(=N1)C1=C(C(O)=NC1=O)C1=CNC2=CC=CC=C12

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
10296883
PubChem Substance
347828620
ChemSpider
8472351
BindingDB
33971
ChEBI
90531
ChEMBL
CHEMBL565612
HET
LW4
PDB Entries
3iw4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentUveal Melanoma1
1CompletedBasic ScienceHealthy Volunteers1
1, 2TerminatedTreatmentUveal Melanoma1
2WithdrawnTreatmentChronic Lymphocytic Leukemia (CLL) - Refractory / Leukemia, Prolymphocytic / Recurrent Mantle Cell Lymphoma / Recurrent Small Lymphocytic Lymphoma / Richter's Syndrome1

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 Solubility0.0643 mg/mLALOGPS
logP3.06ALOGPS
logP2.98ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)6.4ChemAxon
pKa (Strongest Basic)7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area97.71 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity126.46 m3·mol-1ChemAxon
Polarizability46.24 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/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 n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Quinazolinamines / Indoles / Dialkylarylamines / Aminopyrimidines and derivatives / N-methylpiperazines / Maleimides / Substituted pyrroles / Benzenoids / Pyrrolines / N-unsubstituted carboxylic acid imides
show 9 more
Substituents
N-arylpiperazine / Quinazolinamine / Diazanaphthalene / Quinazoline / Indole / Indole or derivatives / Dialkylarylamine / Aminopyrimidine / N-alkylpiperazine / N-methylpiperazine
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:06 / Updated on June 04, 2019 07:37