Indoximod

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
Indoximod
Accession Number
DB12827
Type
Small Molecule
Groups
Investigational
Description

Indoximod has been used in trials studying the treatment of Glioma, Melanoma, Ependymoma, Gliosarcoma, and Lung Cancer, among others.

Structure
Thumb
Synonyms
  • (2R)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid
  • 1-methyl-D-tryptophan
  • D-(+)-1-methyltryptophan
  • D-1-methyltryptophan
  • D-1MT
Categories
UNII
TX5CYN1KMZ
CAS number
110117-83-4
Weight
Average: 218.256
Monoisotopic: 218.105527699
Chemical Formula
C12H14N2O2
InChI Key
ZADWXFSZEAPBJS-SNVBAGLBSA-N
InChI
InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
IUPAC Name
(2R)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid
SMILES
CN1C=C(C[C@@H](N)C(O)=O)C2=CC=CC=C12

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
405012
PubChem Substance
347828994
ChemSpider
358642
BindingDB
50207089
ChEMBL
CHEMBL571209
Wikipedia
1-Methyltryptophan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Non-Small Cell Lung Cancer Recurrent / Progression of Non-small Cell Lung Cancer1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific2
1RecruitingTreatmentDiffuse Intrinsic Pontine Glioma (DIPG) / Ependymomas / Glioblastoma Multiforme (GBM) / Gliomas / Gliosarcoma / Malignant Brain Tumors / Medulloblastomas / Primary CNS Tumor1
1TerminatedTreatmentCancer, Breast / Lung Cancers / Malignant Neoplasm of Pancreas / Melanoma / Tumors, Solid1
1, 2Active Not RecruitingTreatmentGlioblastoma Multiforme (GBM) / Gliomas / Gliosarcoma / Malignant Brain Tumors1
1, 2Active Not RecruitingTreatmentMetastatic Melanoma / Stage III Melanoma / Stage IV Melanoma1
1, 2CompletedTreatmentMale Breast Cancer / Recurrent Breast Cancer / Stage IV Breast Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1, 2CompletedTreatmentPancreatic Adenocarcinoma Metastatic / Pancreatic Cancer Metastatic1
2Active Not RecruitingTreatmentMelanoma1
2Active Not RecruitingTreatmentMetastatic Hormone Refractory Prostate Cancer1
2CompletedTreatmentMetastatic Breast Cancer (MBC)1
Not AvailableWithdrawnDiagnosticCancer, Breast1

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 Solubility0.721 mg/mLALOGPS
logP-0.82ALOGPS
logP-0.86ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.58ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area68.25 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity61.1 m3·mol-1ChemAxon
Polarizability23.37 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
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 indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolyl carboxylic acids and derivatives
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
3-alkylindoles / D-alpha-amino acids / N-alkylindoles / Aralkylamines / Benzenoids / N-methylpyrroles / Heteroaromatic compounds / Amino acids / Carboxylic acids / Azacyclic compounds
show 6 more
Substituents
Indolyl carboxylic acid derivative / Alpha-amino acid / Alpha-amino acid or derivatives / N-alkylindole / D-alpha-amino acid / 3-alkylindole / Indole / Aralkylamine / N-methylpyrrole / Benzenoid
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:32 / Updated on June 04, 2019 07:43