NAV

IRX-5183

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
3D
Similar Structures
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
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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
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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 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
  1. 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]
ChemSpider
8043449
BindingDB
50120065
ChEMBL
CHEMBL107430
ZINC
ZINC000001909562

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentAcute Promyelocytic Leukemia1
2WithdrawnTreatmentAcute Promyelocytic Leukemia1
1, 2CompletedTreatmentLymphoma / 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
PropertyValueSource
Water Solubility0.00087 mg/mLALOGPS
logP5.71ALOGPS
logP5.93Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)2.62Chemaxon
pKa (Strongest Basic)-4Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area86.63 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity111.6 m3·mol-1Chemaxon
Polarizability43.25 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0294100000-6536a9c8d5677791cb6c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-0000900000-159121b00db367352848
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0009200000-ff5bf3643b69d7387e1d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0009600000-184dec73ade65a426be2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o1-2519100000-29a26691e9dafc7f34ce
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0awi-1329200000-9501fb5f0b8033a52a9c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 16:52