NAV

Tinoridine

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

Identification

Generic Name
Tinoridine
DrugBank Accession Number
DB13001
Background

Tinoridine is under investigation in clinical trial NCT01224756 (Efficacy of Tinoridine in Treating Pain and Inflammation in Adults).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 316.42
Monoisotopic: 316.124549066
Chemical Formula
C17H20N2O2S
Synonyms
  • Tinoridine
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofInflammatory reaction••••••••••••
Treatment ofPain••••••••••••
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AbacavirTinoridine may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Tinoridine is combined with Abciximab.
AcebutololTinoridine may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Tinoridine.
AcemetacinThe risk or severity of adverse effects can be increased when Tinoridine is combined with Acemetacin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tinoridine hydrochloride05IIB89IVA25913-34-2LMAQHEGFQZGATE-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thienopyridines
Sub Class
Not Available
Direct Parent
Thienopyridines
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes / Benzylamines / Phenylmethylamines / Thiophene carboxylic acids and derivatives / Aralkylamines / Heteroaromatic compounds / Vinylogous amides / Amino acids and derivatives / Carboxylic acid esters / Trialkylamines
show 7 more
Substituents
2-aminothiophene / 3,4,5-trisubstituted-2-aminothiophene / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzylamine / Carboxylic acid derivative
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C9Z9ICZ7YR
CAS number
24237-54-5
InChI Key
PFENFDGYVLAFBR-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
IUPAC Name
ethyl 2-amino-6-benzyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
SMILES
CCOC(=O)C1=C(N)SC2=C1CCN(CC1=CC=CC=C1)C2

References

General References
  1. SehatQ: Nonflamin (tinoridine hydrochloride) for oral use [Link]
PubChem Compound
5480
PubChem Substance
347829138
ChemSpider
5280
BindingDB
50304470
ChEBI
135353
ChEMBL
CHEMBL592943
ZINC
ZINC000019313075

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentInflammation / Pain1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.021 mg/mLALOGPS
logP3.2ALOGPS
logP3.94Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)17.65Chemaxon
pKa (Strongest Basic)7.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area55.56 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity90.05 m3·mol-1Chemaxon
Polarizability34.64 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-01b9-0089000000-9c1cd9c30a6cb1232156
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0369000000-e03e9b80ac487586fc7c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-fb045a27fcf9d1ae2783
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0593000000-b1a8b094e459d5ff0768
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-5291000000-93d67ef2dcd021fdc35d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6t-0920000000-6f51872dbf82d28e4395
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]-172.3334652
predicted
DarkChem Lite v0.1.0
[M-H]-176.59189
predicted
DeepCCS 1.0 (2019)
[M+H]+172.3140652
predicted
DarkChem Lite v0.1.0
[M+H]+178.94989
predicted
DeepCCS 1.0 (2019)
[M+Na]+185.4276
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:59 / Updated at February 21, 2021 18:54