NAV

TAS-116

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

Identification

Generic Name
TAS-116
DrugBank Accession Number
DB14876
Background

TAS-116 is under investigation in clinical trial NCT02965885 (A Study of TAS-116 in Patients With Solid Tumors).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 454.538
Monoisotopic: 454.222957489
Chemical Formula
C25H26N8O
Synonyms
Not Available
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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
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
PLO044MUDZ
CAS number
1260533-36-5
InChI Key
NVVPMZUGELHVMH-UHFFFAOYSA-N
InChI
InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)
IUPAC Name
3-ethyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
SMILES
CCC1=CC(=CC=C1N1N=C(C(C)C)C2=C1N=CC=C2N1C=NC(=C1)C1=CN(C)N=C1)C(N)=O

References

General References
Not Available
ChemSpider
58796458
BindingDB
126083
ChEMBL
CHEMBL3661115
ZINC
ZINC000169703510

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1RecruitingTreatmentAdvanced Breast Cancer / Bladder Cancer / Endometrial Cancer / Retinoblastoma Deficiency / Small Cell Lung Cancer (SCLC) / Soft Tissue Sarcoma / Treatment-Refractory Solid Tumors1
1RecruitingTreatmentAdvanced or Metastatic Solid Tumor / Alveolar Soft Part Sarcoma (ASPS) / Colorectal Cancer / Gastric Cancer / Non-Small Cell Lung Cancer (NSCLC) / Pancreatic Ductal Adenocarcinoma (PDAC)1
1RecruitingTreatmentGastrointestinal Stromal Tumor (GIST)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 Solubility0.106 mg/mLALOGPS
logP3.65ALOGPS
logP3.64Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)14.82Chemaxon
pKa (Strongest Basic)4.88Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area109.44 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity152.67 m3·mol-1Chemaxon
Polarizability50.36 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-000i-0000900000-3360a495d26990361d9c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-c36a00c8f2a7b1f5e6ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0001900000-7d69cc3abe932d16155e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-0928700000-e78b378597a0a882a5f2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w2i-0002900000-4309b30ed456fcd7c1b5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-3229400000-d4b6da14a534e1a30c3a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:32 / Updated at June 12, 2020 16:53