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

Identification

Generic Name
Sotrastaurin
DrugBank Accession Number
DB12369
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 438.4812
Monoisotopic: 438.180423978
Chemical Formula
C25H22N6O2
Synonyms
  • Sotrastaurin
  • Sotrastaurina
  • Sotrastaurinum
External IDs
  • AEB071

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sotrastaurin acetateR1SIA15KZ1908351-31-5RVEUYBMXVVDLFO-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-unsubstituted
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7I279E1NZ8
CAS number
425637-18-9
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
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
SMILES
CN1CCN(CC1)C1=NC(C2=C(C(=O)NC2=O)C2=CNC3=C2C=CC=C3)=C2C=CC=CC2=N1

References

General References
Not Available
PubChem Compound
10296883
PubChem Substance
347828620
ChemSpider
8472351
BindingDB
33971
ChEBI
90531
ChEMBL
CHEMBL565612
ZINC
ZINC000003973984
PDBe Ligand
LW4
PDB Entries
3iw4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionKidney Transplantation1
2CompletedPreventionLiver Transplantation1
2CompletedTreatmentKidney Transplantation2
2CompletedTreatmentModerate and Severe Plaque Psoriasis1
2CompletedTreatmentPanuveitis / Posterior Uveitis / Uveitis1
2CompletedTreatmentUlcerative Colitis1
2TerminatedTreatmentKidney Transplantation1
2WithdrawnTreatmentChronic Lymphocytic Leukemia (CLL) - Refractory / Prolymphocytic Leukaemia (PLL) / Recurrent Mantle Cell Lymphoma / Recurrent Small Lymphocytic Lymphoma / Richter's Syndrome1
1CompletedBasic ScienceDe Novo Liver Transplantation1
1CompletedBasic ScienceHealthy Subjects (HS)1

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 Solubility0.066 mg/mLALOGPS
logP3.12ALOGPS
logP3.27ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.66ChemAxon
pKa (Strongest Basic)7.4ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area94.22 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity126.14 m3·mol-1ChemAxon
Polarizability46.82 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

Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53