This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sapanisertib
- DrugBank Accession Number
- DB11836
- Background
Sapanisertib has been used in trials studying the treatment of HCC, Solid Tumor, Gliosarcoma, Liver Cancer, and Glioblastoma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Sapanisertib (DB11836)
- Weight
- Average: 309.333
Monoisotopic: 309.133808131 - Chemical Formula
- C15H15N7O
- Synonyms
- Sapanisertib
- External IDs
- INK128
- MLN0128
- TAK-228
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
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 Sapanisertib Diphosphate 6AXE5IZ00D 1422006-45-8 QSGFPHZWXWVYBU-UHFFFAOYSA-N Sapanisertib Hydrochloride 9T2Z08R92D 1422006-46-9 BIIIFXZHOONGOL-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzoxazoles
- Sub Class
- Not Available
- Direct Parent
- Benzoxazoles
- Alternative Parents
- Pyrazolo[3,4-d]pyrimidines / Aminopyrimidines and derivatives / Imidolactams / Benzenoids / Pyrazoles / Oxazoles / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Primary amines show 3 more
- Substituents
- Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzoxazole / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- JGH0DF1U03
- CAS number
- 1224844-38-5
- InChI Key
- GYLDXIAOMVERTK-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
- IUPAC Name
- 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
- SMILES
- CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0244472
- PubChem Compound
- 45375953
- PubChem Substance
- 347828181
- ChemSpider
- 28189069
- BindingDB
- 315477
- 2395271
- ChEBI
- 91450
- ChEMBL
- CHEMBL3545097
- ZINC
- ZINC000073069271
- PDBe Ligand
- FE5
- Wikipedia
- Sapanisertib
- PDB Entries
- 6gvf
Clinical Trials
- Clinical Trials
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 0.23 mg/mL ALOGPS logP 1.97 ALOGPS logP 1.64 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.86 Chemaxon pKa (Strongest Basic) 4.07 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 121.67 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 97.69 m3·mol-1 Chemaxon Polarizability 32.67 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available 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 20:52 / Updated at December 01, 2022 11:27