Bimiralisib

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
Bimiralisib
Accession Number
DB14846
Type
Small Molecule
Groups
Investigational
Description

Bimiralisib is under investigation in clinical trial NCT02723877 (PQR309 and Eribulin in Metastatic HER2 Negative and Triple-negative Breast Cancer (PIQHASSO)).

Structure
Thumb
Synonyms
Not Available
External IDs
PQR309
Categories
Not Available
UNII
6Z3QHB00LB
CAS number
1225037-39-7
Weight
Average: 411.389
Monoisotopic: 411.163057401
Chemical Formula
C17H20F3N7O2
InChI Key
ADGGYDAFIHSYFI-UHFFFAOYSA-N
InChI
InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
IUPAC Name
5-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILES
NC1=NC=C(C2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C(=C1)C(F)(F)F

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
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

References

General References
Not Available
External Links
ChemSpider
35033288
BindingDB
50240975
ChEMBL
CHEMBL4084907
PDBe Ligand
A3W
PDB Entries
5oq4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentMalignancies1
1, 2CompletedTreatmentMetastatic Breast Cancer1
2CompletedTreatmentMalignant Lymphomas1
2CompletedTreatmentMalignant Lymphomas / Non-Hodgkin's Lymphoma (NHL)1
2CompletedTreatmentPrimary Central Nervous System Lymphoma (PCNSL)1
2RecruitingTreatmentHNSCC1
2TerminatedTreatmentGlioblastoma Multiforme (GBM)1
2WithdrawnTreatmentPrimary Central Nervous System Lymphoma (PCNSL)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 Solubility0.708 mg/mLALOGPS
logP2.16ALOGPS
logP2.72ChemAxon
logS-2.8ALOGPS
pKa (Strongest Basic)5.73ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area102.52 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity113.66 m3·mol-1ChemAxon
Polarizability38.5 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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:30 / Updated on February 02, 2020 03:17