Palomid 529

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

Identification

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Name
Palomid 529
Accession Number
DB12812
Type
Small Molecule
Groups
Investigational
Description

Palomid 529 has been used in trials studying the treatment of Age-Related Macular Degeneration.

Structure
Thumb
Synonyms
  • P529
Categories
UNII
XV9409EWG4
CAS number
914913-88-5
Weight
Average: 406.434
Monoisotopic: 406.141638428
Chemical Formula
C24H22O6
InChI Key
YEAHTLOYHVWAKW-UHFFFAOYSA-N
InChI
InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3
IUPAC Name
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
SMILES
COC1=CC=C(COC2=C(OC)C=C3C(OC(=O)C4=CC(=CC=C34)C(C)O)=C2)C=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11998575
PubChem Substance
347828985
ChemSpider
10171042
ChEMBL
CHEMBL2141712

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAge-Related Macular Degeneration (ARMD)2

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 Solubility0.00343 mg/mLALOGPS
logP4.02ALOGPS
logP3.83ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)14.59ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area74.22 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity112.18 m3·mol-1ChemAxon
Polarizability44.23 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Sub Class
Not Available
Direct Parent
Coumarins and derivatives
Alternative Parents
Isocoumarins and derivatives / 2-benzopyrans / 1-benzopyrans / Phenoxy compounds / Methoxybenzenes / Anisoles / Pyranones and derivatives / Alkyl aryl ethers / Heteroaromatic compounds / Secondary alcohols
show 5 more
Substituents
Coumarin / Isocoumarin / Benzopyran / 2-benzopyran / 1-benzopyran / Phenoxy compound / Anisole / Methoxybenzene / Phenol ether / Alkyl aryl ether
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:26 / Updated on June 04, 2019 07:43