NAV

Pictilisib

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

Identification

Generic Name
Pictilisib
DrugBank Accession Number
DB11663
Background

Pictilisib has been used in trials studying the treatment of Solid Cancers, Breast Cancer, Advanced Solid Tumours, Metastatic Breast Cancer, and Non-Hodgkin's Lymphoma, Solid Cancers, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 513.636
Monoisotopic: 513.161679145
Chemical Formula
C23H27N7O3S2
Synonyms
  • Pictilisib
External IDs
  • GDC 0941
  • GDC-0941

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thienopyrimidines
Sub Class
Not Available
Direct Parent
Thienopyrimidines
Alternative Parents
Indazoles / 2,3,5-trisubstituted thiophenes / Dialkylarylamines / Aminopyrimidines and derivatives / Aralkylamines / N-alkylpiperazines / Organosulfonamides / Organic sulfonamides / Morpholines / Imidolactams
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Substituents
1,4-diazinane / 2,3,5-trisubstituted thiophene / Amine / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzopyrazole
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
sulfonamide, morpholines, piperazines, indazoles (CHEBI:65326)
Affected organisms
Not Available

Chemical Identifiers

UNII
ICY00EMP8P
CAS number
957054-30-7
InChI Key
LHNIIDJUOCFXAP-UHFFFAOYSA-N
InChI
InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
IUPAC Name
4-{6-[(4-methanesulfonylpiperazin-1-yl)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}-1H-indazole
SMILES
CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C2=C3C=NNC3=CC=C2)N2CCOCC2)CC1

References

General References
Not Available
PubChem Compound
17755052
PubChem Substance
347828032
ChemSpider
21437049
BindingDB
25028
ChEBI
65326
ChEMBL
CHEMBL521851
ZINC
ZINC000016052714
PDBe Ligand
GD9
Wikipedia
Phosphoinositide_3-kinase_inhibitor
PDB Entries
2wxp / 2y3a / 3dbs

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer2
2CompletedTreatmentNon-Small Cell Lung Cancer (NSCLC)1
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentHealthy Subjects (HS)4
1CompletedTreatmentMetastatic Breast Cancer1
1CompletedTreatmentNon-Hodgkin's Lymphoma, Solid Cancers1
1CompletedTreatmentNon-Squamous Non-Small Cell Lung Cancer, Solid Cancers1
1CompletedTreatmentNon-squamous Non-small-cell Lung Cancer (NSQ NSCLC)1
1CompletedTreatmentSolid Cancers1
1TerminatedTreatmentSolid Tumors1

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 Solubility0.0661 mg/mLALOGPS
logP2.24ALOGPS
logP2.46Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)11.6Chemaxon
pKa (Strongest Basic)5.98Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area107.55 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity147.18 m3·mol-1Chemaxon
Polarizability54.31 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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 20:38 / Updated at February 21, 2021 18:53