Tioclomarol

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

Identification

Name
Tioclomarol
Accession Number
DB13451
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
E5B7C16LFK
CAS number
22619-35-8
Weight
Average: 447.33
Monoisotopic: 446.0146356
Chemical Formula
C22H16Cl2O4S
InChI Key
WRGOVNKNTPWHLZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2
IUPAC Name
3-[3-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)-3-hydroxypropyl]-4-hydroxy-2H-chromen-2-one
SMILES
OC(CC(C1=CC=C(Cl)S1)C1=C(O)C2=CC=CC=C2OC1=O)C1=CC=C(Cl)C=C1

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
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
(1,2,6,7-3H)Testosterone(1,2,6,7-3H)Testosterone may increase the anticoagulant activities of Tioclomarol.
(R)-warfarinThe risk or severity of bleeding can be increased when Tioclomarol is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Tioclomarol is combined with (S)-Warfarin.
1-Testosterone1-Testosterone may increase the anticoagulant activities of Tioclomarol.
18-methyl-19-nortestosterone18-methyl-19-nortestosterone may increase the anticoagulant activities of Tioclomarol.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with Tioclomarol.
25-desacetylrifapentineThe risk or severity of bleeding can be increased when 25-desacetylrifapentine is combined with Tioclomarol.
3,5-Diiodotyrosine3,5-Diiodotyrosine may increase the anticoagulant activities of Tioclomarol.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Tioclomarol.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Tioclomarol is combined with 4-hydroxycoumarin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
11236578
RxNav
163426
ChEBI
135730
ChEMBL
CHEMBL2105401
Wikipedia
Tioclomarol
ATC Codes
B01AA11 — Tioclomarol

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 Solubility0.000581 mg/mLALOGPS
logP4.78ALOGPS
logP5.37ChemAxon
logS-5.9ALOGPS
pKa (Strongest Acidic)4.83ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.59 m3·mol-1ChemAxon
Polarizability44.2 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Sub Class
Hydroxycoumarins
Direct Parent
4-hydroxycoumarins
Alternative Parents
1-benzopyrans / Pyranones and derivatives / Chlorobenzenes / 2,5-disubstituted thiophenes / Aryl chlorides / Vinylogous acids / Heteroaromatic compounds / Secondary alcohols / Lactones / Oxacyclic compounds
show 4 more
Substituents
4-hydroxycoumarin / Benzopyran / 1-benzopyran / Chlorobenzene / Halobenzene / Pyranone / 2,5-disubstituted thiophene / Aryl chloride / Aryl halide / Monocyclic benzene moiety
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:42 / Updated on March 01, 2020 21:32

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