NAV

GSK-269962A

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

Identification

Generic Name
GSK-269962A
DrugBank Accession Number
DB17030
Background

GSK-269962A is a Rho kinase (ROCK) inhibitor with both ROCK1 and ROCK2 affinity.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 570.61
Monoisotopic: 570.233916098
Chemical Formula
C29H30N8O5
Synonyms
  • Benzamide, n-(3-((2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1h-imidazo(4,5-c)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)-
  • N-(3-((2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1h-imidazo(4,5-c)pyridin-6-yl)oxy)phenyl)-4-(2-(4-morpholinyl)ethoxy)benzamide
External IDs
  • GSK-269962
  • GSK-269962A
  • GSK269962A
  • GSK269962B
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
F89KMM7TE2
CAS number
850664-21-0
InChI Key
YOVNFNXUCOWYSG-UHFFFAOYSA-N
InChI
InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
IUPAC Name
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide
SMILES
CCN1C2=C(C=NC(OC3=CC(NC(=O)C4=CC=C(OCCN5CCOCC5)C=C4)=CC=C3)=C2)N=C1C1=NON=C1N

References

General References
  1. Wrobel A, Doboszewska U, Rechberger E, Rojek K, Serefko A, Poleszak E, Skalicka-Wozniak K, Dudka J, Wlaz P: Rho kinase inhibition ameliorates cyclophosphamide-induced cystitis in rats. Naunyn Schmiedebergs Arch Pharmacol. 2017 Jun;390(6):613-619. doi: 10.1007/s00210-017-1361-8. Epub 2017 Feb 21. [Article]
ChemSpider
17253632
BindingDB
14047
ChEMBL
CHEMBL220241
ZINC
ZINC000014954335

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.124 mg/mLALOGPS
logP3.79ALOGPS
logP3.22Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)13.53Chemaxon
pKa (Strongest Basic)6.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area155.68 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity168.22 m3·mol-1Chemaxon
Polarizability60.27 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
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 October 11, 2022 17:12 / Updated at December 01, 2022 11:33