Entospletinib

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

Identification

Generic Name
Entospletinib
DrugBank Accession Number
DB12121
Background

Entospletinib has been used in trials studying the treatment of Oncology, Follicular Lymphoma, B-cell Malignancies, Mantle Cell Lymphoma, and Non-Hodgkin Lymphoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 411.4591
Monoisotopic: 411.180758329
Chemical Formula
C23H21N7O
Synonyms
  • Entospletinib
External IDs
  • GS 9973
  • GS-9973
  • GS9973

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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 phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Oxazinanes
Sub Class
Morpholines
Direct Parent
Phenylmorpholines
Alternative Parents
Indazoles / Imidazopyrazines / Dialkylarylamines / Aniline and substituted anilines / Aminopyrazines / N-substituted imidazoles / Imidolactams / Pyrazoles / Heteroaromatic compounds / Oxacyclic compounds
show 3 more
Substituents
Amine / Aminopyrazine / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzopyrazole / Dialkyl ether / Dialkylarylamine
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6I3O3W6O3B
CAS number
1229208-44-9
InChI Key
XSMSNFMDVXXHGJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
IUPAC Name
6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILES
C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1

References

General References
Not Available
PubChem Compound
59473233
PubChem Substance
347828420
ChemSpider
31042596
BindingDB
50015448
ChEMBL
CHEMBL3265032
ZINC
ZINC000098208742
PDBe Ligand
CG9
Wikipedia
Syk
PDB Entries
4puz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Lymphocytic Leukaemia (CLL)1
2TerminatedTreatmentChronic Graft Versus Host Disease1
2TerminatedTreatmentChronic Lymphocytic Leukaemia (CLL) / Diffuse Large B-Cell Lymphoma (DLBCL) / Follicular Lymphoma ( FL) / Mantle Cell Lymphoma (MCL) / Non-FL Indolent Non-Hodgkin's Lymphoma1
2TerminatedTreatmentChronic Lymphocytic Leukaemia (CLL) / Diffuse Large B-Cell Lymphoma (DLBCL) / Indolent Non-Hodgkin's Lymphomas / Mantle Cell Lymphoma (MCL)1
1Active Not RecruitingTreatmentB Cell Malignancies1
1CompletedTreatmentOncology1
1TerminatedTreatmentAcute Myeloid Leukemia (AML) / Malignancies, Hematologic1
1, 2CompletedTreatmentAnemia / B-Cell Prolymphocytic Leukemia / Chronic Lymphocytic Leukemia (CLL) - Refractory / Chronic, recurrent Lymphocytic Leukemia / Grade 1 Follicular Lymphoma / Grade 2 Follicular Lymphoma / Grade 3a Follicular Lymphoma / Hairy Cell Leukemia (HCL) / Lymphoplasmacytic Lymphoma / Mantle Cell Lymphoma (MCL) / Marginal Zone Lymphoma (MZL) / Recurrent Small Lymphocytic Lymphoma / Refractory Small Lymphocytic Lymphoma / Richter's Syndrome1
1, 2RecruitingTreatmentPreviously Untreated Acute Myeloid Leukemia1
1, 2TerminatedTreatmentAcute Lymphoblastic Leukaemias (ALL)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
logP2.82ChemAxon
pKa (Strongest Acidic)11.74ChemAxon
pKa (Strongest Basic)3.74ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.37 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity120.86 m3·mol-1ChemAxon
Polarizability44.44 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 on October 20, 2016 21:23 / Updated on February 21, 2021 18:53