NAV

PPI-1040

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

Identification

Generic Name
PPI-1040
DrugBank Accession Number
DB17620
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 730.024
Monoisotopic: 729.50972604
Chemical Formula
C43H72NO6P
Synonyms
  • 1-(((z)-hexadec-1-en-1-yl)oxy)-3-((2-oxido-1,3,2-oxazaphospholidin-2-yl)oxy)propan-2-yl (4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate
  • 4,7,10,13,16,19-docosahexaenoic acid, 2-((1z)-1-hexadecen-1-yloxy)-1-(((2-oxido-1,3,2-oxazaphospholidin-2-yl)oxy)methyl)ethyl ester, (4z,7z,10z,13z,16z,19z)-
External IDs
  • PPI-1040

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
5J560A5O35
CAS number
1436673-69-6
InChI Key
SKDNPCDRIUQGAL-XTJCVSPVSA-N
InChI
InChI=1S/C43H72NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)50-42(41-49-51(46)44-37-39-48-51)40-47-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41H2,1-2H3,(H,44,46)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-
IUPAC Name
1-[(1Z)-hexadec-1-en-1-yloxy]-3-[(2-oxo-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILES
CCCCCCCCCCCCCC\C=C/OCC(COP1(=O)NCCO1)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

References

General References
Not Available
Not Available

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
logP12.62Chemaxon
pKa (Strongest Acidic)13.91Chemaxon
pKa (Strongest Basic)-4.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.09 Å2Chemaxon
Rotatable Bond Count35Chemaxon
Refractivity222.16 m3·mol-1Chemaxon
Polarizability86.72 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at April 13, 2023 16:09 / Updated at April 15, 2023 22:28