Tenalisib
Star0
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
- 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
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
- 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
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
- External Links
- ChemSpider
- 52083673
- BindingDB
- 50512870
- ChEMBL
- CHEMBL4297584
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment B-Cell Chronic Lymphocytic Leukemia 1 2 Completed Treatment Locally Advanced Breast Cancer (LABC) / Metastatic Breast Cancer 1 2 Completed Treatment Non-Hodgkin's Lymphoma (NHL) 1 2 Recruiting Treatment Triple-Negative Breast Cancer 1 2 Withdrawn Treatment Peripheral 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
Property Value Source Water Solubility 0.0153 mg/mL ALOGPS logP 3.31 ALOGPS logP 3.86 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 9.86 Chemaxon pKa (Strongest Basic) 3.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 92.79 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.09 m3·mol-1 Chemaxon Polarizability 41.59 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0100900000-6be81d51302786f4cf8a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03xr-3006900000-19e603975fcb3e0411fa Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0100900000-6b325ed87474b50cbf66 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-02t9-9506400000-39eee3a3e50ba24c2981 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-1924100000-0de3c230e7d77b0fb019 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0016-3329000000-a5fe189da70231578997 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:09 / Updated at July 18, 2023 22:57