Indoximod
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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
- 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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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 Metastatic Prostate Cancer 1 2 Recruiting Treatment Diffuse Intrinsic Pontine Gliomas (DIPG) / Ependymoma / High Grade Glioma: Glioblastoma (GBM) / Medulloblastomas 1 2 Terminated Treatment Melanoma 1 1 Completed Treatment Acute Myeloid Leukemia 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 splash10-00ec-4920000000-62f58350bd0fdb7d3a4e Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0gb9-0090000000-7214c959965c0564f0d3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01b9-5390000000-b7523b269ca9feb7950d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0avi-0940000000-21b07ebd2befd7605a64 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-9710000000-9062b912c8be1bc46bb5 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0zgi-0900000000-2f1bd3a67188aa7f7949 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fc0-0900000000-0ba0d13c4e3ff8809995 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 148.38835 predictedDeepCCS 1.0 (2019) [M+H]+ 150.7839 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.69643 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:32 / Updated at January 14, 2023 19:02