NAV
Explore a selection of essential drug information below, or:
Unlock enhanced features & extensive drug insights. Create a free account.
Explore the full scope of our drug knowledge tailored for pharmaceutical research needs in our data library. Learn more.

Tandospirone

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

Explore a selection of our essential drug information below, or:

CREATE FREE ACCOUNT
Full Drug Profiles
Unlock enhanced features & extensive drug insights, including detailed interaction data & regulatory status. Create a free account.
SUBSCRIBERECOMMENDED FOR PHARMA
Data Packages
Explore the full scope of our drug knowledge tailored for pharmaceutical research needs in our data library. Learn more.

Identification

Generic Name
Tandospirone
DrugBank Accession Number
DB12833
Background

Tandospirone has been used in trials studying the treatment of Schizophrenia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 383.496
Monoisotopic: 383.232125194
Chemical Formula
C21H29N5O2
Synonyms
  • Tandospirone
Unlock the secrets to drugging the undruggable
Discover how groundbreaking research is turning "undruggable" targets into therapeutic opportunities.
Download eBook
Unlock the secrets to drugging the undruggable
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Tandospirone.
AcenocoumarolThe risk or severity of adverse effects can be increased when Tandospirone is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Tandospirone.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Tandospirone.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Tandospirone.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Aromatic monoterpenoids / Isoindolones / Dialkylarylamines / Aminopyrimidines and derivatives / N-alkylpiperazines / Pyrrolidine-2-ones / N-substituted carboxylic acid imides / N-alkylpyrrolidines / Heteroaromatic compounds / Dicarboximides
show 8 more
Substituents
2-pyrrolidone / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aromatic monoterpenoid / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
190230I669
CAS number
87760-53-0
InChI Key
CEIJFEGBUDEYSX-FZDBZEDMSA-N
InChI
InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
IUPAC Name
(1R,2S,6R,7S)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatricyclo[5.2.1.0²,⁶]decane-3,5-dione
SMILES
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)C3=NC=CC=N3)C(=O)[C@]21[H]

References

General References
Not Available
PubChem Compound
91273
PubChem Substance
347828999
ChemSpider
82421
BindingDB
50099385
ChEBI
145673
ChEMBL
CHEMBL274047
ZINC
ZINC000001545034
Wikipedia
Tandospirone

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package
PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data
4CompletedTreatmentGeneralized Anxiety Disorder1somestatusstop reasonjust information to hide
4Unknown StatusTreatmentAnxiety / Hypertension1somestatusstop reasonjust information to hide
4Unknown StatusTreatmentSchizophrenia1somestatusstop reasonjust information to hide

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 Solubility1.1 mg/mLALOGPS
logP1.93ALOGPS
logP1.5Chemaxon
logS-2.5ALOGPS
pKa (Strongest Basic)7.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area69.64 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity107.11 m3·mol-1Chemaxon
Polarizability42.98 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-00lr-0049000000-2ab8f80e010e9d7f739a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-5356148d13802c3961b0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0095000000-7ec6ce36b02f6c53c66b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-fce6d251f5f50a85db65
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ar1-4945000000-5c827a7920f9c25788e8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fc0-2209000000-5dad6509e27d302b28ed
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]-206.8779218
predicted
DarkChem Lite v0.1.0
[M-H]-188.14507
predicted
DeepCCS 1.0 (2019)
[M+H]+206.6693218
predicted
DarkChem Lite v0.1.0
[M+H]+190.54062
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.7729218
predicted
DarkChem Lite v0.1.0
[M+Na]+196.45314
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:35 / Updated at February 21, 2021 18:54