This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bimiralisib
- DrugBank Accession Number
- DB14846
- Background
Bimiralisib is under investigation in clinical trial NCT02723877 (PQR309 and Eribulin in Metastatic HER2 Negative and Triple-negative Breast Cancer (PIQHASSO)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Bimiralisib (DB14846)
- Weight
- Average: 411.389
Monoisotopic: 411.163057401 - Chemical Formula
- C17H20F3N7O2
- Synonyms
- 2-Pyridinamine, 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-
- 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
- Bimiralisib
- External IDs
- PQR309
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6Z3QHB00LB
- CAS number
- 1225037-39-7
- 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
References
- General References
- Not Available
- External Links
- ChemSpider
- 35033288
- BindingDB
- 50240975
- ChEMBL
- CHEMBL4084907
- ZINC
- ZINC000068203488
- PDBe Ligand
- A3W
- PDB Entries
- 5oq4
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Lymphoma 1 2 Completed Treatment Lymphoma / Non-Hodgkin's Lymphoma (NHL) 1 2 Completed Treatment Primary Central Nervous System Lymphoma 1 2 Terminated Treatment Glioblastoma Multiforme (GBM) 1 2 Terminated Treatment Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1 2 Withdrawn Treatment Primary Central Nervous System Lymphoma 1 1 Completed Treatment Advanced Solid Tumors 1 1 Completed Treatment Cancer 1 1, 2 Completed Treatment Metastatic Breast Cancer 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
Property Value Source Water Solubility 0.708 mg/mL ALOGPS logP 2.16 ALOGPS logP 2.72 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) 5.73 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 102.52 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 113.66 m3·mol-1 Chemaxon Polarizability 38.5 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:30 / Updated at December 01, 2022 11:28