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
Structure for Indoximod (DB12827)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 405012
- PubChem Substance
- 347828994
- ChemSpider
- 358642
- BindingDB
- 50207089
- ChEMBL
- CHEMBL571209
- ZINC
- ZINC000000039102
- Wikipedia
- 1-Methyltryptophan
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Metastatic Breast Cancer 1 2 Completed Treatment Refractory, metastatic hormone-refractory Prostate cancer 1 2 Recruiting Treatment Diffuse Intrinsic Pontine Gliomas (DIPG) / Ependymomas / Glioblastoma Multiforme (GBM) / Medulloblastomas 1 2 Terminated Treatment Melanoma 1 1 Completed Treatment Acute Myeloid Leukemia (AML) 1 1 Completed Treatment Diffuse Intrinsic Pontine Gliomas (DIPG) / Ependymomas / Glioblastoma Multiforme (GBM) / Gliomas / Gliosarcoma / Malignant Brain Tumors / Medulloblastomas / Primary CNS Tumors 1 1 Completed Treatment Healthy Subjects (HS) 1 1 Completed Treatment Unspecified Adult Solid Tumor, Protocol Specific 2 1 Not Yet Recruiting Treatment Solid Tumors, Advanced Solid Tumors 1 1 Recruiting Treatment Ependymomas / Glioblastoma Multiforme (GBM) / Medulloblastomas / Primitive Neuroectodermal Tumors (PNETs) 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
Property Value Source Water Solubility 0.721 mg/mL ALOGPS logP -0.82 ALOGPS logP -0.86 ChemAxon logS -2.5 ALOGPS pKa (Strongest Acidic) 2.58 ChemAxon pKa (Strongest Basic) 9.39 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 68.25 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 61.1 m3·mol-1 ChemAxon Polarizability 23.37 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 00:32 / Updated at February 21, 2021 18:54