Tinoridine

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

Identification

Name
Tinoridine
Accession Number
DB13001
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Tinoridine hydrochloride05IIB89IVA25913-34-2LMAQHEGFQZGATE-UHFFFAOYSA-N
Categories
UNII
C9Z9ICZ7YR
CAS number
24237-54-5
Weight
Average: 316.42
Monoisotopic: 316.124549066
Chemical Formula
C17H20N2O2S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Tinoridine is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Tinoridine is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Tinoridine is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Tinoridine is combined with 4-hydroxycoumarin.
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.
AcarboseTinoridine may decrease the excretion rate of Acarbose which could result in a higher serum level.
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

References

General References
Not Available
External Links
PubChem Compound
5480
PubChem Substance
347829138
ChemSpider
5280
BindingDB
50304470
ChEBI
135353
ChEMBL
CHEMBL592943

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.021 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Thienopyridine / 3,4,5-trisubstituted-2-aminothiophene / Benzylamine / Phenylmethylamine / Thiophene carboxylic acid or derivatives / Aralkylamine / Monocyclic benzene moiety / 2-aminothiophene / Benzenoid / Heteroaromatic compound
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:59 / Updated on November 02, 2018 09:08