3,3'-diindolylmethane

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

Identification

Name
3,3'-diindolylmethane
Accession Number
DB11875
Description

Diindolylmethane has been used in trials studying the prevention and treatment of SLE, Prostate Cancer, Cervical Dysplasia, Stage I Prostate Cancer, and Stage II Prostate Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 246.313
Monoisotopic: 246.115698459
Chemical Formula
C17H14N2
Synonyms
  • Diindolylmethane

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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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.
Not Available
Food Interactions
Not Available

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indoles
Direct Parent
3-alkylindoles
Alternative Parents
Substituted pyrroles / Benzenoids / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
3-alkylindole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Pyrrole
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
indoles (CHEBI:50182) / an indole-phytolexin (CPDQT-424)

Chemical Identifiers

UNII
SSZ9HQT61Z
CAS number
1968-05-4
InChI Key
VFTRKSBEFQDZKX-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
IUPAC Name
3-[(1H-indol-3-yl)methyl]-1H-indole
SMILES
C(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12

References

General References
Not Available
PubChem Compound
3071
PubChem Substance
347828212
ChemSpider
2963
BindingDB
50239186
RxNav
1603521
ChEBI
50182
ChEMBL
CHEMBL446452
ZINC
ZINC000000187911
Wikipedia
3,3%27-Diindolylmethane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedPreventionCervical Cancers / Precancerous Conditions1
2CompletedTreatmentProstate Cancer1
2WithdrawnTreatmentMalignant Neoplasm of Female Breast1
1CompletedPreventionHealthy, no Evidence of Disease2
1CompletedTreatmentAdenocarcinoma of the Prostate / Prostate Cancer / Stage I Prostate Cancer / Stage II Prostate Cancer1
1CompletedTreatmentProstate Cancer1
1TerminatedTreatmentSystemic Lupus Erythematosus (SLE)1

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 Solubility0.00163 mg/mLALOGPS
logP4.4ALOGPS
logP4.26ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)16.52ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area31.58 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity77.97 m3·mol-1ChemAxon
Polarizability27.58 Å3ChemAxon
Number of Rings4ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created on October 20, 2016 14:56 / Updated on June 12, 2020 10:53

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