NAV

TAK-715

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

Identification

Generic Name
TAK-715
DrugBank Accession Number
DB16108
Background

TAK-715 is under investigation in clinical trial NCT00760864 (Safety and Efficacy of TAK-715 in Subjects With Rheumatoid Arthritis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 399.51
Monoisotopic: 399.140533482
Chemical Formula
C24H21N3OS
Synonyms
Not Available
External IDs
  • TAK 715
  • TAK-715
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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
WE92U03C5Z
CAS number
303162-79-0
InChI Key
HEKAIDKUDLCBRU-UHFFFAOYSA-N
InChI
InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
IUPAC Name
N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide
SMILES
CCC1=NC(=C(S1)C1=CC(NC(=O)C2=CC=CC=C2)=NC=C1)C1=CC=CC(C)=C1

References

General References
Not Available
ChemSpider
8128383
BindingDB
50173609
ChEBI
91360
ChEMBL
CHEMBL363648
ZINC
ZINC000006717791
PDBe Ligand
T75
PDB Entries
3zsg / 6anl

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRheumatoid Arthritis1

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 Solubility0.000453 mg/mLALOGPS
logP5.47ALOGPS
logP6.11Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)14.89Chemaxon
pKa (Strongest Basic)2.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.88 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity118.75 m3·mol-1Chemaxon
Polarizability44.67 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0udi-0000900000-88b87eda21c0afbcf782
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-0009000000-b7a624989a7458ad1af4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0020900000-3085c00b328238f855cd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0091000000-f0d197f605b309b5539e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4975300000-c8e021d468a740490b18
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4095000000-0f81837a4bba5b29398c
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]-201.363223
predicted
DarkChem Lite v0.1.0
[M+H]+201.178623
predicted
DarkChem Lite v0.1.0
[M+Na]+200.619123
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:05 / Updated at December 20, 2020 03:37