This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- OMS-824
- DrugBank Accession Number
- DB17874
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for OMS-824 (DB17874)
- Weight
- Average: 473.327
Monoisotopic: 472.074618 - Chemical Formula
- C21H21BrN4O4
- Synonyms
- Not Available
- External IDs
- OMS 824
- OMS824
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 1207549-69-6
- InChI Key
- YPIBFZQJCQFGFY-YDZHTSKRSA-N
- InChI
- InChI=1S/C21H21BrN4O4/c1-28-17-11-14(12-18(29-2)19(17)22)13-23-25-21(27)20(30-3)15-5-7-16(8-6-15)26-10-4-9-24-26/h4-13,20H,1-3H3,(H,25,27)/b23-13+
- IUPAC Name
- N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-methoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide
- SMILES
- COC(C(=O)N\N=C\C1=CC(OC)=C(Br)C(OC)=C1)C1=CC=C(C=C1)N1C=CC=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 28513975
- BindingDB
- 50390137
- ChEMBL
- CHEMBL2069694
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 2 Terminated Treatment Huntington's Disease (HD) 1
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 logP 3.41 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 86.97 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 117.29 m3·mol-1 Chemaxon Polarizability 45.21 Å3 Chemaxon Number of Rings 3 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 02, 2023 17:08 / Updated at June 03, 2023 01:11