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
Thumb
Weight
Average: 469.548
Monoisotopic: 469.190260381
Chemical Formula
C30H23N5O
Synonyms
  • Dactolisib
External IDs
  • BEZ-235
  • BEZ235

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
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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.
DrugInteraction
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Dactolisib.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Dactolisib.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Dactolisib.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Dactolisib.
Interactions
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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
PhaseStatusPurposeConditionsCount
3CompletedPreventionRecurrent Upper and Lower Respiratory Tract Infections (RTIs)1
3WithdrawnPreventionClinically Symptomatic Respiratory Illness1
2Active Not RecruitingPreventionCoronavirus Disease 2019 (COVID‑19)1
2CompletedTreatmentProgressive Neuroendocrine Tumors of pancreatic origin1
2TerminatedPreventionCoronavirus Disease 2019 (COVID‑19)1
2TerminatedTreatmentProgressive Neuroendocrine Tumors of pancreatic origin1
2TerminatedTreatmentTransitional Cell, Carcinoma1
2Unknown StatusPreventionRecurrent Upper and Lower Respiratory Tract Infections (RTIs)1
2WithdrawnTreatmentEndometrial Cancer1
2WithdrawnTreatmentMalignant PEComa (Perivascular Epithelioid Cell Tumors)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 Solubility0.00563 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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

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