NCX 1022

Identification

Generic Name
NCX 1022
DrugBank Accession Number
DB05410
Background

NCX is an NO-releasing derivative of hydrocortisone.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 541.597
Monoisotopic: 541.231181711
Chemical Formula
C29H35NO9
Synonyms
Not Available
External IDs
  • NCX 1022
  • NCX-1022

Pharmacology

Indication

Investigated for use/treatment in atopic dermatitis.

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action

NCX 1022 is designed to have potent anti- inflammatory activity combined with a significantly improved safety and tolerability profile, in particular the absence of skin blanching after repeated use.It is better than hydrocortisone in terms of inhibiting benzalkonium chloride-induced leukocyte adhesion to the endothelium, without affecting the flux of rolling leukocytes or venule diameter.

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
Medicalerrors
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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
Not Available
CAS number
571186-50-0
InChI Key
MBODWAULVMWNDB-UHFFFAOYSA-N
InChI
InChI=1S/C29H35NO9/c1-27-10-8-20(31)13-19(27)6-7-21-22-9-11-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-4-17(12-18)15-39-30(36)37/h3-5,12-13,21-23,25,32,35H,6-11,14-16H2,1-2H3
IUPAC Name
2-{1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl 3-[(nitrooxy)methyl]benzoate
SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C1=CC=CC(CON(=O)=O)=C1

References

General References
  1. Hyun E, Bolla M, Steinhoff M, Wallace JL, Soldato PD, Vergnolle N: Anti-inflammatory effects of nitric oxide-releasing hydrocortisone NCX 1022, in a murine model of contact dermatitis. Br J Pharmacol. 2004 Nov;143(5):618-25. Epub 2004 Aug 16. [Article]
PubChem Substance
347910124

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00244 mg/mLALOGPS
logP2.96ALOGPS
logP3.93ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)12.61ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area155.95 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity140.73 m3·mol-1ChemAxon
Polarizability56.82 Å3ChemAxon
Number of Rings5ChemAxon
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

Drug created on November 18, 2007 18:24 / Updated on June 12, 2020 16:52