Palomid 529

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

Identification

Generic Name
Palomid 529
DrugBank Accession Number
DB12812
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 406.434
Monoisotopic: 406.141638428
Chemical Formula
C24H22O6
Synonyms
  • 6H-DIBENZO(B,D)PYRAN-6-ONE, 8-(1-HYDROXYETHYL)-2-METHOXY-3-((4-METHOXYPHENYL)METHOXY)-
  • 8-(1-HYDROXY-ETHYL)-2-METHOXY-3-(4-METHOXY-BENZYLOXY)-BENZO(C)CHROMEN-6-ONE
  • 8-(1-Hydroxy-ethyl)-2-methoxy-3-(4-methoxy-benzyloxy)-benzo[c]chromen-6-one
  • PALOMID-529
External IDs
  • P 529
  • P-529
  • P529
  • SG 00529
  • SG-00529
  • SG00529

Pharmacology

Indication

Not Available

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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
Chemical TaxonomyProvided by Classyfire
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
1-benzopyran / 2-benzopyran / Alcohol / Alkyl aryl ether / Anisole / Aromatic alcohol / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Coumarin
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
XV9409EWG4
CAS number
914913-88-5
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

References

General References
Not Available
Human Metabolome Database
HMDB0256093
PubChem Compound
11998575
PubChem Substance
347828985
ChemSpider
10171042
ChEMBL
CHEMBL2141712

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAge - Related Macular Degeneration (AMD)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/MSsplash10-0079-0649200000-fd344fad4e9d57712c0a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090100000-3d84943fce9a3781c594
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-2917200000-6ff894ff9f052f245216
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-f6d033fcadacf7041608
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-9110000000-1fd83833701f1ad92382
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-7490000000-21dedde195c57f4d349d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-204.10732
predicted
DeepCCS 1.0 (2019)
[M+H]+206.46532
predicted
DeepCCS 1.0 (2019)
[M+Na]+212.55847
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:26 / Updated at July 18, 2023 22:57