NAV

Abequolixron

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

Identification

Generic Name
Abequolixron
DrugBank Accession Number
DB17146
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 596.09
Monoisotopic: 595.2101061
Chemical Formula
C34H33ClF3NO3
Synonyms
  • (3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2- diphenylethyl)amino)butoxy)phenyl)acetic acid
  • 2-(3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid
  • 2-{3-[(3R)-3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)butoxy]phenyl}acetic acid
  • Benzeneacetic acid, 3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-
External IDs
  • RGX-104
  • SB-742881
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q26B92650V
CAS number
610318-54-2
InChI Key
ZLJZDYOBXVOTSA-XMMPIXPASA-N
InChI
InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1
IUPAC Name
2-{3-[(3R)-3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)butoxy]phenyl}acetic acid
SMILES
C[C@H](CCOC1=CC(CC(O)=O)=CC=C1)N(CC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=C(Cl)C(=CC=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
8394185
BindingDB
50300575
ChEMBL
CHEMBL573677
ZINC
ZINC000049695241

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Not Yet RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
1RecruitingTreatmentCarcinoma, Non-Small Cell / Endometrial Cancer / Lung Cancer / Metastatic Non-Small Cell Lung Cancer / Recurrent Endometrial Cancer / Recurrent Lung Cancer1

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 Solubility8.81e-05 mg/mLALOGPS
logP7.94ALOGPS
logP5.94Chemaxon
logS-6.8ALOGPS
pKa (Strongest Acidic)3.74Chemaxon
pKa (Strongest Basic)8.79Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity160.46 m3·mol-1Chemaxon
Polarizability58.96 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 21, 2022 17:12 / Updated at July 18, 2023 22:58