NAV

Tenalisib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tenalisib
DrugBank Accession Number
DB15295
Background

Tenalisib is under investigation in clinical trial NCT03711604 (Compassionate Use Study of Tenalisib (RP6530)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 415.428
Monoisotopic: 415.144453003
Chemical Formula
C23H18FN5O2
Synonyms
  • (S)-2-(1-(9H-Purin-6-Ylamino)Propyl)-3-(3-Fluorophenyl)-4H-Chromen-4-One)
  • 3-(3-FLUOROPHENYL)-2-((1S)-1-((7H-PURIN-6-YL)AMINO)PROPYL)-4H-1-BENZOPYRAN-4-ONE
  • 4H-1-BENZOPYRAN-4-ONE, 3-(3-FLUOROPHENYL)-2-((1S)-1-(9H-PURIN-6-YLAMINO)PROPYL)-
  • Tenalisib
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
2261HH611H
CAS number
1639417-53-0
InChI Key
HDXDQPRPFRKGKZ-INIZCTEOSA-N
InChI
InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
IUPAC Name
3-(3-fluorophenyl)-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-4H-chromen-4-one
SMILES
CC[C@H](NC1=C2N=CNC2=NC=N1)C1=C(C(=O)C2=CC=CC=C2O1)C1=CC=CC(F)=C1

References

General References
Not Available
ChemSpider
52083673
BindingDB
50512870
ChEMBL
CHEMBL4297584

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentB-Cell Chronic Lymphocytic Leukemia1
2CompletedTreatmentLocally Advanced Breast Cancer (LABC) / Metastatic Breast Cancer1
2CompletedTreatmentNon-Hodgkin's Lymphoma (NHL)1
2RecruitingTreatmentTriple-Negative Breast Cancer1
2WithdrawnTreatmentPeripheral T-Cell Lymphoma (PTCL)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 Solubility0.0153 mg/mLALOGPS
logP3.31ALOGPS
logP3.86Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)9.86Chemaxon
pKa (Strongest Basic)3.98Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area92.79 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity116.09 m3·mol-1Chemaxon
Polarizability41.59 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-6be81d51302786f4cf8a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-3006900000-19e603975fcb3e0411fa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-6b325ed87474b50cbf66
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-9506400000-39eee3a3e50ba24c2981
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-1924100000-0de3c230e7d77b0fb019
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0016-3329000000-a5fe189da70231578997
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:09 / Updated at July 18, 2023 22:57