Indoximod

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

Identification

Generic Name
Indoximod
DrugBank Accession Number
DB12827
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 218.256
Monoisotopic: 218.105527699
Chemical Formula
C12H14N2O2
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
  • Indoximod

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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Toxicity

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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
3-alkylindole / Alpha-amino acid / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TX5CYN1KMZ
CAS number
110117-83-4
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

References

General References
Not Available
PubChem Compound
405012
PubChem Substance
347828994
ChemSpider
358642
BindingDB
50207089
ChEMBL
CHEMBL571209
ZINC
ZINC000000039102
Wikipedia
1-Methyltryptophan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMetastatic Breast Cancer1
2CompletedTreatmentMetastatic Hormone Refractory Prostate Cancer1
2RecruitingTreatmentDiffuse Intrinsic Pontine Glioma (DIPG) / Ependymomas / Glioblastomas / Medulloblastomas1
2TerminatedTreatmentMelanomas1
1Active Not RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC) / Progression of Non-small Cell Lung Cancer / Recurrent Non Small Cell Lung Cancer1
1CompletedTreatmentAcute Myeloid Leukemia (AML)1
1CompletedTreatmentDiffuse Intrinsic Pontine Glioma (DIPG) / Ependymomas / Glioblastoma Multiforme (GBM) / Gliomas / Gliosarcoma / Malignant Brain Tumors / Medulloblastomas / Primary CNS Tumor1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific2
1TerminatedTreatmentBreast Cancer / Lung Cancers / Malignant Neoplasm of Pancreas / Melanomas / Tumors, Solid1

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

Drug created on October 21, 2016 00:32 / Updated on February 21, 2021 18:54