Serabelisib

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
Thumb
Weight
Average: 363.377
Monoisotopic: 363.133139427
Chemical Formula
C19H17N5O3
Synonyms
  • Serabelisib
External IDs
  • TAK-117

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
ChemSpider
35143228
BindingDB
119531
ChEMBL
CHEMBL3935857
ZINC
ZINC000146965425

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentBreast Cancer (Triple Negative Breast Cancer (TNBC))1
2CompletedTreatmentMetastatic Clear Cell Renal Cell Carcinoma1
2CompletedTreatmentNeoplasms, Endometrial1
1Active Not RecruitingTreatmentSolid Tumors, Advanced Solid Tumors1
1CompletedTreatmentAdvanced Nonhematologic Malignancies1
1CompletedTreatmentNeoplasms, Advanced or Metastatic1
1CompletedTreatmentSolid Metastatic Tumor1
1TerminatedTreatmentAdvanced and Metastatic Gastric or Gastroesophageal Adenocarcinoma1
1, 2Not Yet RecruitingTreatmentBreast Cancer / Colorectal, Cancer / Endometrial Cancer / Head and Neck Carcinoma / Lung Cancers1
1, 2TerminatedTreatmentNon-Small Cell Lung Carcinoma (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
PropertyValueSource
Water Solubility0.288 mg/mLALOGPS
logP1.78ALOGPS
logP0.61ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)4.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area98.89 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity99.74 m3·mol-1ChemAxon
Polarizability38.71 Å3ChemAxon
Number of Rings5ChemAxon
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

Drug created on May 20, 2019 14:36 / Updated on February 21, 2021 18:55