This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dactolisib
- DrugBank Accession Number
- DB11651
- Background
Dactolisib has been used in trials studying the treatment of Cancer, Solid Tumor, Renal Cancer, Breast Cancer, and Cowden Syndrome, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Dactolisib (DB11651)
- Weight
- Average: 469.548
Monoisotopic: 469.190260381 - Chemical Formula
- C30H23N5O
- Synonyms
- Dactolisib
- External IDs
- BEZ-235
- BEZ235
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.
Drug Interaction Integrate drug-drug
interactions in your softwareArticaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Cocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Phenylquinolines
- Direct Parent
- Phenylquinolines
- Alternative Parents
- Imidazoquinolines / Phenylimidazoles / Phenylpropanes / Imidazo-[4,5-c]pyridines / Pyridinones / N-substituted imidazoles / Heteroaromatic compounds / Ureas / Nitriles / Azacyclic compounds show 4 more
- Substituents
- 1-phenylimidazole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Carbonitrile / Heteroaromatic compound / Hydrocarbon derivative / Imidazo-[4,5-c]pyridine / Imidazole show 16 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- quinolines, ureas, nitrile, ring assembly, imidazoquinoline (CHEBI:71952)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RUJ6Z9Y0DT
- CAS number
- 915019-65-7
- InChI Key
- JOGKUKXHTYWRGZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
- IUPAC Name
- 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-1H,2H,3H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile
- SMILES
- CN1C(=O)N(C2=C1C=NC1=CC=C(C=C21)C1=CN=C2C=CC=CC2=C1)C1=CC=C(C=C1)C(C)(C)C#N
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11977753
- PubChem Substance
- 347828022
- ChemSpider
- 10151099
- BindingDB
- 92862
- ChEBI
- 71952
- ChEMBL
- CHEMBL1879463
- ZINC
- ZINC000024760115
- Wikipedia
- Dactolisib
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Prevention Recurrent Upper and Lower Respiratory Tract Infections (RTIs) 1 3 Withdrawn Prevention Clinically Symptomatic Respiratory Illness 1 2 Active Not Recruiting Prevention Coronavirus Disease 2019 (COVID‑19) 1 2 Active Not Recruiting Prevention Recurrent Upper and Lower Respiratory Tract Infections (RTIs) 1 2 Completed Treatment Pancreatic Neuroendocrine Tumor 1 2 Terminated Prevention Coronavirus Disease 2019 (COVID‑19) 1 2 Terminated Treatment Pancreatic Neuroendocrine Tumor 1 2 Terminated Treatment Transitional Cell Carcinoma 1 2 Withdrawn Treatment Endometrial Cancer 1 2 Withdrawn Treatment Malignant Perivascular Epithelioid Cell Neoplasms 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 0.00563 mg/mL ALOGPS logP 4.65 ALOGPS logP 5.65 Chemaxon logS -4.9 ALOGPS pKa (Strongest Basic) 4.07 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 73.12 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 138.35 m3·mol-1 Chemaxon Polarizability 51.35 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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 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 20:37 / Updated at February 21, 2021 18:53