IRX-5183
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- IRX-5183
- DrugBank Accession Number
- DB05653
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 437.87
Monoisotopic: 437.1205422 - Chemical Formula
- C22H22ClF2NO4
- Synonyms
- Not Available
- External IDs
- AGN 195183
- AGN-195183
- NRX-195183
- NRX195183
- VTP-195183
- VTP-5183
- VTP195183
Pharmacology
- Indication
Investigated for use/treatment in adverse effects (chemotherapy) and blood (blood forming organ disorders, unspecified).
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- Pharmacodynamics
Not Available
- Mechanism of action
VTP-195183 is a retinoic acid receptor alpha (RARalpha) specific agonist.
- 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 aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Aromatic anilides
- Alternative Parents
- Naphthalenecarboxamides / 2-halobenzoic acids / 3-halobenzoic acids and derivatives / Tetralins / Halobenzoic acids / Salicylic acid and derivatives / Benzoic acids / Halophenols / Benzoyl derivatives / 1-carboxy-2-haloaromatic compounds show 12 more
- Substituents
- 1-carboxy-2-haloaromatic compound / 2-halobenzoic acid / 2-halobenzoic acid or derivatives / 2-halophenol / 2-naphthalenecarboxamide / 2-naphthalenecarboxylic acid or derivatives / 3-halobenzoic acid or derivatives / Aromatic anilide / Aromatic homopolycyclic compound / Aryl chloride show 27 more
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- RC87L028HU
- CAS number
- 367273-07-2
- InChI Key
- PNAWUIKCVQSLFG-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
- IUPAC Name
- 4-(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)-2,6-difluorobenzoic acid
- SMILES
- CC1(C)CCC(C)(C)C2=C1C=C(C(=O)NC1=CC(F)=C(C(O)=O)C(F)=C1)C(O)=C2Cl
References
- General References
- Herbert KE, Walkley CR, Winkler IG, Hendy J, Olsen GH, Yuan YD, Chandraratna RA, Prince HM, Levesque JP, Purton LE: Granulocyte colony-stimulating factor and an RARalpha specific agonist, VTP195183, synergize to enhance the mobilization of hematopoietic progenitor cells. Transplantation. 2007 Feb 27;83(4):375-84. [Article]
- External Links
- ChemSpider
- 8043449
- BindingDB
- 50120065
- ChEMBL
- CHEMBL107430
- ZINC
- ZINC000001909562
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Acute Promyelocytic Leukemia 1 2 Withdrawn Treatment Acute Promyelocytic Leukemia 1 1, 2 Completed Treatment Lymphoma / Multiple Myeloma (MM) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00087 mg/mL ALOGPS logP 5.71 ALOGPS logP 5.93 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 2.62 Chemaxon pKa (Strongest Basic) -4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.63 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 111.6 m3·mol-1 Chemaxon Polarizability 43.25 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0294100000-6536a9c8d5677791cb6c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014r-0000900000-159121b00db367352848 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-0009200000-ff5bf3643b69d7387e1d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014r-0009600000-184dec73ade65a426be2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00o1-2519100000-29a26691e9dafc7f34ce Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0awi-1329200000-9501fb5f0b8033a52a9c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 16:52