NAV

Parsaclisib

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

Identification

Generic Name
Parsaclisib
DrugBank Accession Number
DB14867
Background

Parsaclisib is under investigation in clinical trial NCT03126019 (An Open-Label Study of Parsaclisib in Relapsed or Refractory Follicular Lymphoma (CITADEL-203)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 432.88
Monoisotopic: 432.1476798
Chemical Formula
C20H22ClFN6O2
Synonyms
  • INCB050465
  • Parsaclisib
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

ATC Codes
L01EM05 — Parsaclisib
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolidines
Sub Class
Phenylpyrrolidines
Direct Parent
Phenylpyrrolidines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines / Phenoxy compounds / Phenol ethers / Chlorobenzenes / Fluorobenzenes / Alkyl aryl ethers / Aminopyrimidines and derivatives / Pyrrolidine-2-ones / Aryl fluorides / Imidolactams
show 14 more
Substituents
2-pyrrolidone / 3-phenylpyrrolidine / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide
show 33 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
OS7097575K
CAS number
1426698-88-5
InChI Key
ZQPDJCIXJHUERQ-QWRGUYRKSA-N
InChI
InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1
IUPAC Name
(4R)-4-{3-[(1S)-1-{4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-5-chloro-2-ethoxy-6-fluorophenyl}pyrrolidin-2-one
SMILES
CCOC1=C(C=C(Cl)C(F)=C1[C@@H]1CNC(=O)C1)[C@H](C)N1N=C(C)C2=C1N=CN=C2N

References

General References
Not Available
ChemSpider
64835232
BindingDB
272573

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentMyelofibrosis / Post Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF)2
3Active Not RecruitingTreatmentWarm Autoimmune Hemolytic Anemia1
3Not Yet RecruitingTreatmentMyelofibrosis / Post Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF)1
3RecruitingTreatmentMyelofibrosis / Post Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF)1
3WithdrawnTreatmentFollicular Lymphoma ( FL) / Marginal Zone Lymphoma (MZL)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 Solubility0.0462 mg/mLALOGPS
logP2.67ALOGPS
logP1.79Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)13.37Chemaxon
pKa (Strongest Basic)3.56Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area107.95 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity123.54 m3·mol-1Chemaxon
Polarizability42.87 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-001i-0010900000-7eba0d2999de52447c92
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03e9-1002900000-032dd03d26037317b270
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0110900000-b5920b5a330d863771ba
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02aj-5419600000-574ae9a4e6cb6e788cb3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0962200000-6877b47f9e40f9c5bd79
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-4936200000-c4eee94ef16ee0bcc7a7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:31 / Updated at February 21, 2021 18:54