This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Serabelisib
- DrugBank Accession Number
- DB14935
- Background
Serabelisib is under investigation in clinical trial NCT02625259 (A Study to Evaluate the Relative Bioavailability, Effect of Food, and Gastric Potential Hydrogen (pH) Modification on the Pharmacokinetics of TAK-117 (MLN1117) in Healthy Participants).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Serabelisib (DB14935)
- Weight
- Average: 363.377
Monoisotopic: 363.133139427 - Chemical Formula
- C19H17N5O3
- Synonyms
- Serabelisib
- External IDs
- TAK-117
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 43J9Q56T3W
- CAS number
- 1268454-23-4
- InChI Key
- BLGWHBSBBJNKJO-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
- IUPAC Name
- 5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine
- SMILES
- NC1=NC2=CC(=CC=C2O1)C1=CN2C(C=C1)=NC=C2C(=O)N1CCOCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 35143228
- BindingDB
- 119531
- ChEMBL
- CHEMBL3935857
- ZINC
- ZINC000146965425
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Metastatic Clear Cell Renal Cell Carcinoma (ccRCC) 1 2 Completed Treatment Neoplasms, Endometrial 1 2 Completed Treatment Triple-Negative Breast Cancer 1 1 Active Not Recruiting Treatment Advanced Solid Tumors 1 1 Completed Treatment Advanced Nonhematologic Malignancies 1 1 Completed Treatment Metastatic Solid Neoplasm 1 1 Completed Treatment Neoplasms, Advanced or Metastatic 1 1 Recruiting Treatment Advanced Solid Tumors / PIK3CA Mutation / PTEN Loss of Function Mutation 1 1 Terminated Treatment Advanced and Metastatic Gastric or Gastroesophageal Adenocarcinoma 1 1, 2 Terminated Treatment Non-Small Cell Lung Cancer (NSCLC) 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 0.288 mg/mL ALOGPS logP 1.78 ALOGPS logP 0.61 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.86 Chemaxon pKa (Strongest Basic) 4.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 98.89 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 99.74 m3·mol-1 Chemaxon Polarizability 38.71 Å3 Chemaxon Number of Rings 5 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 14:36 / Updated at February 21, 2021 18:55