NAV

Dactolisib

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
3D
Similar Structures
Weight
Average: 469.548
Monoisotopic: 469.190260381
Chemical Formula
C30H23N5O
Synonyms
  • Dactolisib
External IDs
  • BEZ-235
  • BEZ235
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Dactolisib is combined with Bupivacaine.
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
PubChem Compound
11977753
PubChem Substance
347828022
ChemSpider
10151099
BindingDB
92862
ChEBI
71952
ChEMBL
CHEMBL1879463
ZINC
ZINC000024760115
Wikipedia
Dactolisib

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedPreventionRespiratory Tract Infections (RTI)1
3WithdrawnPreventionClinically Symptomatic Respiratory Illness1
2Active Not RecruitingPreventionCoronavirus Disease 2019 (COVID‑19)1
2Active Not RecruitingPreventionRespiratory Tract Infections (RTI)1
2CompletedTreatmentPancreatic Neuroendocrine Tumor1

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 Solubility0.00563 mg/mLALOGPS
logP4.65ALOGPS
logP5.65Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)4.07Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area73.12 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity138.35 m3·mol-1Chemaxon
Polarizability51.35 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-f43d13dc69fbbb895e75
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-559559dcbeefe0b85d40
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-0000900000-41de3c5b8518a2dfcb43
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0000900000-88f741b9be05b5dcfca1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-0911200000-24ea5ad15dd44fbe81c3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0203900000-0e95f389d6af36e65eb8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-231.6534661
predicted
DarkChem Lite v0.1.0
[M-H]-201.75882
predicted
DeepCCS 1.0 (2019)
[M+H]+232.9524661
predicted
DarkChem Lite v0.1.0
[M+H]+204.15439
predicted
DeepCCS 1.0 (2019)
[M+Na]+232.8404661
predicted
DarkChem Lite v0.1.0
[M+Na]+210.06691
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:37 / Updated at February 21, 2021 18:53