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

Identification
Name3,3'-diindolylmethane
Accession NumberDB11875
TypeSmall Molecule
GroupsInvestigational
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
External IDs Not Available
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIISSZ9HQT61Z
CAS number1968-05-4
WeightAverage: 246.313
Monoisotopic: 246.115698459
Chemical FormulaC17H14N2
InChI KeyVFTRKSBEFQDZKX-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Diindolylmethane.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Diindolylmethane.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Diindolylmethane.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Diindolylmethane.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Diindolylmethane.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Diindolylmethane.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Diindolylmethane.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Diindolylmethane.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Diindolylmethane.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Diindolylmethane.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Diindolylmethane.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Diindolylmethane.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
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
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganoheterocyclic compounds
Sub ClassIndoles and derivatives
Direct Parent3-alkylindoles
Alternative ParentsSubstituted pyrroles / Benzenoids / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents3-alkylindole / Benzenoid / Substituted pyrrole / Heteroaromatic compound / Pyrrole / Azacycle / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptorsindoles (CHEBI:50182 ) / an indole-phytolexin (CPDQT-424 )
Drug created on October 20, 2016 14:56 / Updated on September 01, 2017 12:14