NAV

ABX-1431

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

Identification

Generic Name
ABX-1431
DrugBank Accession Number
DB16036
Background

ABX-1431 is under investigation in clinical trial NCT03625453 (Study of ABX-1431 in Adult Patients With Tourette Syndrome or Chronic Motor Tic Disorder).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 507.401
Monoisotopic: 507.156830427
Chemical Formula
C20H22F9N3O2
Synonyms
Not Available
External IDs
  • ABX-1431
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
FB39E94UXK
CAS number
1446817-84-0
InChI Key
SQZJGTOZFRNWCX-UHFFFAOYSA-N
InChI
InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
IUPAC Name
1,1,1,3,3,3-hexafluoropropan-2-yl 4-{[2-(pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxylate
SMILES
FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F

References

General References
Not Available
ChemSpider
61719539
BindingDB
180052
ChEMBL
CHEMBL3945728

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGilles de la Tourette's Syndrome / Motor Tic Disorders1
1CompletedBasic ScienceChronic Motor Tic Disorder / Gilles de la Tourette's Syndrome1
1CompletedBasic SciencePain1
1CompletedTreatmentDiabetic Peripheral Neuropathy (DPN) / Post-traumatic neuralgia / Postherpetic Neuralgia / Small Fibre Neuropathy1
1CompletedTreatmentHealthy Volunteers (HV)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
PropertyValueSource
Water Solubility0.0211 mg/mLALOGPS
logP5.09ALOGPS
logP4.97Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.01Chemaxon
pKa (Strongest Basic)6.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area36.02 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity105.06 m3·mol-1Chemaxon
Polarizability41.21 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a4i-0000090000-01dd234ea1fab5ce722c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000090000-36d13b29776ccae540f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000090000-15d7749455b5c17a6b90
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0032490000-aad86c5eb18be42a138d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f8a-3292610000-ad190ec098a417e3fefc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06vl-0590500000-88aacdc259c0698a1d10
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35