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
Type
Small Molecule
Groups
Investigational
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.

Structure
Thumb
Synonyms
  • Diindolylmethane
Categories
UNII
SSZ9HQT61Z
CAS number
1968-05-4
Weight
Average: 246.313
Monoisotopic: 246.115698459
Chemical Formula
C17H14N2
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

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of 3,3'-diindolylmethane.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with 3,3'-diindolylmethane.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of 3,3'-diindolylmethane.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with 3,3'-diindolylmethane.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with 3,3'-diindolylmethane.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of 3,3'-diindolylmethane.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of 3,3'-diindolylmethane.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3071
PubChem Substance
347828212
ChemSpider
2963
ChEBI
50182
ChEMBL
CHEMBL446452

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedPreventionHealthy, no Evidence of Disease1
1CompletedTreatmentAdenocarcinoma of the Prostate / Prostate Cancer / Stage I Prostate Cancer / Stage II Prostate Cancer1
1TerminatedTreatmentSystemic Lupus Erythematosus (SLE)1
2CompletedTreatmentProstate Cancer1

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

Taxonomy

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 / Benzenoid / Substituted pyrrole / Heteroaromatic compound / Pyrrole / Azacycle / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
indoles (CHEBI:50182) / an indole-phytolexin (CPDQT-424)

Drug created on October 20, 2016 14:56 / Updated on November 09, 2017 04:58