Palomid 529
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- Human Metabolome Database
- HMDB0256093
- PubChem Compound
- 11998575
- PubChem Substance
- 347828985
- ChemSpider
- 10171042
- ChEMBL
- CHEMBL2141712
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Age - 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
Property Value Source Water Solubility 0.00343 mg/mL ALOGPS logP 4.02 ALOGPS logP 3.83 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 14.59 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.22 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 112.18 m3·mol-1 Chemaxon Polarizability 44.23 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-0649200000-fd344fad4e9d57712c0a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0090100000-3d84943fce9a3781c594 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-2917200000-6ff894ff9f052f245216 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-f6d033fcadacf7041608 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004l-9110000000-1fd83833701f1ad92382 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-7490000000-21dedde195c57f4d349d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.10732 predictedDeepCCS 1.0 (2019) [M+H]+ 206.46532 predictedDeepCCS 1.0 (2019) [M+Na]+ 212.55847 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:26 / Updated at July 18, 2023 22:57