NAV

ARRY-502

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

Identification

Generic Name
ARRY-502
DrugBank Accession Number
DB16053
Background

ARRY-502 is under investigation in clinical trial NCT01561690 (A Study of ARRY-502 in Patients With Persistent Asthma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 516.37
Monoisotopic: 515.0902429
Chemical Formula
C26H23Cl2NO6
Synonyms
Not Available
External IDs
  • ARRY-502
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Pharmacology

Indication

Not Available

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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

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
5LO1ZK1LCW
CAS number
1202891-16-4
InChI Key
QIDYUNXQPQEJEC-IBGZPJMESA-N
InChI
InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1
IUPAC Name
(4S)-6-chloro-7-(4-{[2-(4-chloro-2-methoxyphenyl)ethyl]carbamoyl}phenoxy)-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
SMILES
COC1=CC(Cl)=CC=C1CCNC(=O)C1=CC=C(OC2=CC3=C(C=C2Cl)[C@H](CCO3)C(O)=O)C=C1

References

General References
Not Available
ChemSpider
64854091

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1
1CompletedOtherHealthy 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 Solubility0.00032 mg/mLALOGPS
logP5.21ALOGPS
logP5.16Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)3.26Chemaxon
pKa (Strongest Basic)-0.75Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area94.09 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity132.33 m3·mol-1Chemaxon
Polarizability52.21 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00m0-0169350000-4165895dacd5cbea681e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0il0-2009250000-70636a75221fb11119f1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-0119240000-a05ed8a6c2a3a65fccd3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9006000000-9a7359064ea3f6c4a8ac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00li-2793330000-336634a2925b7f361778
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9122310000-677a8b2464f2fc7e33dd
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

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