NAV

TAK-653

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

Identification

Generic Name
TAK-653
DrugBank Accession Number
DB16304
Background

TAK-653 is under investigation in clinical trial NCT03312894 (Efficacy and Safety of TAK-653 in Treatment-resistant Depression).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 373.47
Monoisotopic: 373.146012787
Chemical Formula
C19H23N3O3S
Synonyms
Not Available
External IDs
  • TAK-653
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9E3TOE5RIZ
CAS number
1358751-06-0
InChI Key
PXJBHEHFVQVDDS-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3
IUPAC Name
9-[4-(cyclohexyloxy)phenyl]-7-methyl-3H,4H-2lambda6-pyrazino[2,1-c][1,2,4]thiadiazine-2,2-dione
SMILES
CC1=CN2CCS(=O)(=O)N=C2C(=N1)C1=CC=C(OC2CCCCC2)C=C1

References

General References
Not Available
ChemSpider
81367230
PDBe Ligand
0YK
PDB Entries
7f3o

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMajor Depressive Disorder (MDD)1
2WithdrawnTreatmentMajor depressive disorder, recurrent episode1
1CompletedOtherDepressive Disorder1
1CompletedOtherHealthy Volunteers (HV)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 Solubility0.023 mg/mLALOGPS
logP3.04ALOGPS
logP2.16Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)1.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area71.33 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.11 m3·mol-1Chemaxon
Polarizability40.15 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-00di-0019000000-c04b659f08068a7a879e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-7e1dd819005f2b788064
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0039000000-ada063230123f20d62f3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0039000000-c7f68facab5460f8f807
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-2097000000-c694e7f0c24c0f8df476
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ta-4397000000-055d7c7efc8a8bcb7f94
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:18 / Updated at December 20, 2020 03:41