AT-001

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

Identification

Name
AT-001
Accession Number
DB15121
Description

AT-001 is under investigation in clinical trial NCT03062384 (AT-001 for Long-term Preservation of Brain Health in Aging).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 421.35
Monoisotopic: 421.045644865
Chemical Formula
C17H10F3N5O3S
Synonyms
Not Available

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
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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
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Toxicity
Not Available
Affected organisms
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

Products

Categories

Drug Categories
Not Available
Classification
Not classified

Chemical Identifiers

UNII
E8I3O45DDU
CAS number
1355612-71-3
InChI Key
YRGPAXAVTDMKDK-UHFFFAOYSA-N
InChI
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
IUPAC Name
2-(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7H,8H-pyrazino[2,3-d]pyridazin-5-yl)acetic acid
SMILES
OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1N=CC=N2

References

General References
Not Available
ChemSpider
38772337
ZINC
ZINC000113653985

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentDiabetic Cardiomyopathies1
2RecruitingTreatmentNovel Coronavirus Infectious Disease (COVID-19)1
1CompletedTreatmentOxidative Stress1

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 Solubility0.00453 mg/mLALOGPS
logP2.05ALOGPS
logP1.89ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)3.58ChemAxon
pKa (Strongest Basic)2.27ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area108.64 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity93.16 m3·mol-1ChemAxon
Polarizability36.25 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:51 / Updated on June 12, 2020 10:53

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