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

Identification

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Name
Clorindione
Accession Number
DB13275
Type
Small Molecule
Groups
Experimental
Description

Clorindione is a vitamin K antagonist, which may be useful to decrease prothrombin levels in humans.

Structure
Thumb
Synonyms
Not Available
External IDs
G-25766
Categories
UNII
541C7WS64R
CAS number
1146-99-2
Weight
Average: 256.69
Monoisotopic: 256.0291072
Chemical Formula
C15H9ClO2
InChI Key
NJDUWAXIURWWLN-UHFFFAOYSA-N
InChI
InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
IUPAC Name
2-(4-chlorophenyl)-2,3-dihydro-1H-indene-1,3-dione
SMILES
ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O

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

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

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  • 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
64010
BindingDB
50280162
ChEBI
135057
ChEMBL
CHEMBL278519
Wikipedia
Clorindione
ATC Codes
B01AA09 — Clorindione

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 Solubility0.00531 mg/mLALOGPS
logP3.66ALOGPS
logP3.48ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.4ChemAxon
pKa (Strongest Basic)-7.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity70.04 m3·mol-1ChemAxon
Polarizability25.63 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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 indanediones. These are compounds containing an indane ring bearing two ketone groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Indanones
Direct Parent
Indanediones
Alternative Parents
Aryl alkyl ketones / Chlorobenzenes / Beta-diketones / Aryl chlorides / Organochlorides / Organic oxides / Hydrocarbon derivatives
Substituents
Indanedione / Aryl ketone / Aryl alkyl ketone / Chlorobenzene / Halobenzene / 1,3-diketone / 1,3-dicarbonyl compound / Aryl chloride / Monocyclic benzene moiety / Aryl halide
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Zimmerlin A, Trunzer M, Faller B: CYP3A time-dependent inhibition risk assessment validated with 400 reference drugs. Drug Metab Dispos. 2011 Jun;39(6):1039-46. doi: 10.1124/dmd.110.037911. Epub 2011 Mar 7. [PubMed:21383203]

Drug created on June 23, 2017 14:39 / Updated on September 02, 2019 19:56