Entospletinib

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
Entospletinib
Accession Number
DB12121
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
GS-9973
Categories
UNII
6I3O3W6O3B
CAS number
1229208-44-9
Weight
Average: 411.4591
Monoisotopic: 411.180758329
Chemical Formula
C23H21N7O
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-(2H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]-7H,8H-imidazo[1,2-a]pyrazin-8-imine
SMILES
C1CN(CCO1)C1=CC=C(C=C1)N=C1NC(=CN2C=CN=C12)C1=CC2=NNC=C2C=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
59473233
PubChem Substance
347828420
ChemSpider
31042596
BindingDB
50015448
ChEMBL
CHEMBL3265032
HET
CG9
Wikipedia
Syk
PDB Entries
4puz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentB-Cell Malignancies1
1CompletedTreatmentOncology1
1TerminatedTreatmentLeukemia Acute Myeloid Leukemia (AML) / Malignancies, Hematologic1
1, 2CompletedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Acute Lymphocytic Leukemia (ALL)1
1, 2RecruitingTreatmentAnemias / B-Cell Prolymphocytic Leukemia / Chronic Lymphocytic Leukemia (CLL) - Refractory / Chronic, recurrent Lymphocytic Leukemia / Fevers / Grade 1 Follicular Lymphoma / Grade 2 Follicular Lymphoma / Grade 3a Follicular Lymphoma / Hairy Cell Leukemia (HCL) / Lymphadenopathy / Lymphocytosis / Lymphoplasmacytic Lymphoma / Mantle Cell Lymphoma (MCL) / Marginal Zone Lymphoma / Night Sweats / Obese experiencing rapid weight loss / Recurrent Small Lymphocytic Lymphoma / Refractory Small Lymphocytic Lymphoma / Richter's Syndrome / Splenomegaly / Thrombocytopenias / Tiredness1
1, 2RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL)1
1, 2RecruitingTreatmentPreviously Untreated Acute Myeloid Leukemia1
1, 2TerminatedTreatmentLeukemia Acute Myeloid Leukemia (AML)1
1, 2TerminatedTreatmentNon-Hodgkin's Lymphoma (NHL)1
2Active Not RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL)1
2Active Not RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL) / Follicular Lymphoma (FL) / Lymphoma, Large B-Cell, Diffuse (DLBCL) / Mantle Cell Lymphoma (MCL) / Non-FL Indolent Non-Hodgkin's Lymphoma1
2CompletedTreatmentChronic Lymphocytic Leukaemia (CLL) / Indolent Non-Hodgkin's Lymphomas / Lymphoma, Large B-Cell, Diffuse (DLBCL) / Mantle Cell Lymphoma (MCL)1
2TerminatedTreatmentChronic Graft Versus Host Disease1

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 Solubility0.132 mg/mLALOGPS
logP3.15ALOGPS
logP2.76ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)9.81ChemAxon
pKa (Strongest Basic)6.66ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.36 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity122.47 m3·mol-1ChemAxon
Polarizability45.25 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 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
Phenylmorpholine / Benzopyrazole / Indazole / Imidazopyrazine / Tertiary aliphatic/aromatic amine / Aniline or substituted anilines / Dialkylarylamine / Aminopyrazine / Monocyclic benzene moiety / N-substituted imidazole
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:23 / Updated on May 01, 2019 11:22