Taselisib

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

Identification

Name
Taselisib
Accession Number
DB12108
Type
Small Molecule
Groups
Investigational
Description

Taselisib has been used in trials studying the treatment and basic science of LYMPHOMA, Breast Cancer, Ovarian Cancer, Solid Neoplasm, and HER2/Neu Negative, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
GDC-0032 / RG-7604
Categories
UNII
L08J2O299M
CAS number
1282512-48-4
Weight
Average: 460.542
Monoisotopic: 460.233522174
Chemical Formula
C24H28N8O2
InChI Key
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
InChI
InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
IUPAC Name
2-methyl-2-(4-{4-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-9-oxa-3,6-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2,4,10,12-pentaen-12-yl}-1H-pyrazol-1-yl)propanamide
SMILES
CC(C)N1N=C(C)N=C1C1=CN2CCOC3=CC(=CC=C3C2=N1)C1=CN(N=C1)C(C)(C)C(N)=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Taselisib.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Taselisib.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Taselisib.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Taselisib.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Taselisib.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Taselisib.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Taselisib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Taselisib.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Taselisib.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Taselisib.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Taselisib.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Taselisib.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Taselisib.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Taselisib.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Taselisib.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Taselisib.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Taselisib.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Taselisib.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Taselisib.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
51001932
PubChem Substance
347828409
ChemSpider
29315044
BindingDB
50434806
ChEMBL
CHEMBL2387080
PharmGKB
PA166163227
HET
799
PDB Entries
5t8f

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedOtherHealthy Volunteers1
1CompletedTreatmentBreast Cancer, Non-small Lung Cancer1
1RecruitingTreatmentAdvanced Solid Tumours / Cancer, Breast1
1RecruitingTreatmentCancer of the Uterus / Cancer, Breast / Cancer, Ovarian1
1RecruitingTreatmentMetastatic Breast Cancer (MBC) / Recurrent Breast Cancer1
1RecruitingTreatmentNon-Hodgkin's Lymphoma (NHL) / Non-Hodgkin's Lymphoma, Solid Cancers / Solid Cancers1
1, 2RecruitingTreatmentEstrogen Receptor Negative / Estrogen Receptor Positive / HER2/Neu Negative / Progesterone Receptor Negative / Progesterone Receptor Positive / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
1, 2RecruitingTreatmentPIK3CA-Related Overgrowth1
2Active Not RecruitingTreatmentRecurrent Squamous Cell Lung Carcinoma / Stage IV Squamous Cell Lung Carcinoma1
2CompletedTreatmentCancer, Breast1
2RecruitingTreatmentAdvanced Malignant Neoplasm / Advanced Malignant Solid Neoplasm / Bladder Carcinoma / Carcinoma, Breast / Carcinoma, Colorectal / Carcinoma, Pancreatic / Cervical Carcinoma / Colon Carcinoma / Endometrial Carcinoma / Gastric Carcinoma / Gliomas / Head and Neck Carcinoma / Liver and Intrahepatic Bile Duct Carcinoma / Lung, Carcinoma / Malignant Lymphomas / Malignant Uterine Neoplasm / Melanoma / Oesophageal Carcinoma / Ovarian Carcinoma / Plasma Cell Myeloma / Prostate Cancer / Rectal Carcinoma / Recurrent Bladder Carcinoma / Recurrent Breast Carcinoma / Recurrent Cervical Carcinoma / Recurrent Colon Carcinoma / Recurrent Colorectal Carcinoma / Recurrent Esophageal Carcinoma / Recurrent Gastric Carcinoma / Recurrent Gliomas / Recurrent Head and Neck Carcinoma / Recurrent Liver Carcinoma / Recurrent Lung Carcinoma / Recurrent Lymphoma / Recurrent Malignant Solid Neoplasm / Recurrent Melanoma / Recurrent Ovarian Carcinoma / Recurrent Pancreatic Carcinoma / Recurrent Plasma Cell Myeloma / Recurrent Prostate Carcinoma / Recurrent Rectal Carcinoma / Recurrent Skin Carcinoma / Recurrent Solid Neoplasm / Recurrent Thyroid Gland Carcinoma / Recurrent Uterine Corpus Carcinoma / Refractory Lymphomas / Refractory Malignant Neoplasm / Refractory Malignant Solid Neoplasm / Refractory Plasma Cell Myeloma / Renal Carcinoma / Skin Carcinoma / Solid Neoplasms / Thyroid Gland Carcinoma / Uterine Corpus Cancer1
2, 3RecruitingTreatmentRecurrent Squamous Cell Lung Carcinoma / Stage IV Squamous Cell Lung Carcinoma1
3RecruitingTreatmentCancer, Breast1

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 Solubility0.267 mg/mLALOGPS
logP3.19ALOGPS
logP2.67ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)15.69ChemAxon
pKa (Strongest Basic)3.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area118.67 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity171.26 m3·mol-1ChemAxon
Polarizability51.73 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Alkyl aryl ethers
Alternative Parents
N-substituted imidazoles / Benzenoids / Triazoles / Pyrazoles / Heteroaromatic compounds / Primary carboxylic acid amides / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds
show 3 more
Substituents
Alkyl aryl ether / N-substituted imidazole / Benzenoid / Azole / Imidazole / Heteroaromatic compound / Pyrazole / 1,2,4-triazole / Carboxamide group / Primary carboxylic acid amide
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:22 / Updated on November 09, 2017 05:02