Pictilisib

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
Pictilisib
Accession Number
DB11663
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
GDC 0941 / GDC-0941
Categories
UNII
ICY00EMP8P
CAS number
957054-30-7
Weight
Average: 513.636
Monoisotopic: 513.161679145
Chemical Formula
C23H27N7O3S2
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

Pharmacology

Indication
Not Available
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
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
17755052
PubChem Substance
347828032
ChemSpider
21437049
BindingDB
25028
ChEBI
65326
ChEMBL
CHEMBL521851
HET
GD9
Wikipedia
Phosphoinositide_3-kinase_inhibitor
PDB Entries
2wxp / 2y3a / 3dbs

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer, Breast / Metastatic Breast Cancer, Locally Advanced Breast Cancer1
1CompletedTreatmentHealthy Volunteers4
1CompletedTreatmentMetastatic Breast Cancer (MBC)1
1CompletedTreatmentNon-Hodgkin's Lymphoma, Solid Cancers1
1CompletedTreatmentNon-Squamous Non-Small Cell Lung Cancer1
1CompletedTreatmentNon-Squamous Non-Small Cell Lung Cancer, Solid Cancers1
1CompletedTreatmentSolid Cancers1
1RecruitingTreatmentAdvanced Solid Tumours / Cancer, Breast1
1TerminatedTreatmentSolid Cancers / Tumors, Solid1
1, 2Enrolling by InvitationTreatmentGlioblastomas1
2Active Not RecruitingTreatmentCancer, Breast1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentNon-Squamous Non-Small Cell Lung Cancer1

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)13.19ChemAxon
pKa (Strongest Basic)6.26ChemAxon
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

Taxonomy

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
show 11 more
Substituents
Benzopyrazole / Indazole / Thienopyrimidine / 2,3,5-trisubstituted thiophene / Dialkylarylamine / Aminopyrimidine / N-alkylpiperazine / Aralkylamine / 1,4-diazinane / Morpholine
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
sulfonamide, morpholines, piperazines, indazoles (CHEBI:65326)

Drug created on October 20, 2016 14:38 / Updated on June 04, 2019 07:25