This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Buparlisib
- DrugBank Accession Number
- DB11666
- Background
Buparlisib has been used in trials studying the treatment and basic science of Lymphoma, Metastases, Lung Cancer, Solid Tumors, and Breast Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Buparlisib (DB11666)
- Weight
- Average: 410.3935
Monoisotopic: 410.167808561 - Chemical Formula
- C18H21F3N6O2
- Synonyms
- Buparlisib
- Buparlisibum
- External IDs
- BKM 120
- BKM-120
- BKM-120NX
- NVP-BKM-120
- NVP-BKM120
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Buparlisib hydrochloride 194LK4P5K1 1312445-63-8 DGPLYAXBXJXEID-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazines
- Sub Class
- Pyrimidines and pyrimidine derivatives
- Direct Parent
- Pyridinylpyrimidines
- Alternative Parents
- Dialkylarylamines / Aminopyrimidines and derivatives / Aminopyridines and derivatives / Morpholines / Imidolactams / Heteroaromatic compounds / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Primary amines show 4 more
- Substituents
- Alkyl fluoride / Alkyl halide / Amine / Aminopyridine / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Dialkyl ether / Dialkylarylamine / Ether show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- organofluorine compound, aminopyrimidine, ring assembly, morpholines, aminopyridine (CHEBI:71954)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0ZM2Z182GD
- CAS number
- 944396-07-0
- InChI Key
- CWHUFRVAEUJCEF-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
- IUPAC Name
- 5-[2,6-bis(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
- SMILES
- NC1=CC(=C(C=N1)C1=NC(=NC(=C1)N1CCOCC1)N1CCOCC1)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16654980
- PubChem Substance
- 347828035
- ChemSpider
- 17588300
- BindingDB
- 50380363
- ChEBI
- 71954
- ChEMBL
- CHEMBL2017974
- ZINC
- ZINC000043154039
- PDBe Ligand
- SD5
- Wikipedia
- Phosphoinositide_3-kinase_inhibitor
- PDB Entries
- 3sd5 / 5m7e / 7r26
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Breast Cancer 1 3 Recruiting Treatment Head and Neck Carcinoma 1 3 Terminated Treatment Metastatic Breast Cancer 1 2 Active Not Recruiting Treatment Melanoma 1 2 Completed Treatment Advanced Endometrial Cancer 1 2 Completed Treatment Advanced thymic carcinoma 1 2 Completed Treatment Breast Cancer 4 2 Completed Treatment Breast Cancer / Metastatic Breast Cancer / Tumors Metastatic to Brain 1 2 Completed Treatment Chronic Lymphocytic Leukemia (CLL) 1 2 Completed Treatment Diffuse Large B-cell Lymphoma, Mantle Cell Lymphoma, Follicular Lymphoma 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 0.81 mg/mL ALOGPS logP 2.44 ALOGPS logP 2.56 ChemAxon logS -2.7 ALOGPS pKa (Strongest Basic) 5.94 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 89.63 Å2 ChemAxon Rotatable Bond Count 4 ChemAxon Refractivity 103.58 m3·mol-1 ChemAxon Polarizability 39.25 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:38 / Updated at February 21, 2021 18:53