AVA-4746
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AVA-4746
- DrugBank Accession Number
- DB18022
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 469.92
Monoisotopic: 469.1404486 - Chemical Formula
- C24H24ClN3O5
- Synonyms
- (3s)-3-(((1-(2-chlorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2-dihydropyridin-3yl)amino)carbonyl)amino-3-(4-methylphenyl)propanoic acid
- Benzenepropanoic acid, .beta.-((((1-((2-chlorophenyl)methyl)-1,2-dihydro-4-hydroxy-5-methyl-2-oxo-3-pyridinyl)amino)carbonyl)amino)-4-methyl-, (.beta.s)-
- External IDs
- AVA 4746
- AVA-4746
- AVA4746
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
- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key AVA-4746 sodium TGC4U44G07 1206054-55-8 Not applicable
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7M2IM94F1S
- CAS number
- 422268-99-3
- InChI Key
- JRGSXHUFFDTFCN-IBGZPJMESA-N
- InChI
- InChI=1S/C24H24ClN3O5/c1-14-7-9-16(10-8-14)19(11-20(29)30)26-24(33)27-21-22(31)15(2)12-28(23(21)32)13-17-5-3-4-6-18(17)25/h3-10,12,19,31H,11,13H2,1-2H3,(H,29,30)(H2,26,27,33)/t19-/m0/s1
- IUPAC Name
- (3S)-3-[({1-[(2-chlorophenyl)methyl]-4-hydroxy-5-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)amino]-3-(4-methylphenyl)propanoic acid
- SMILES
- CC1=CC=C(C=C1)[C@H](CC(O)=O)NC(=O)NC1=C(O)C(C)=CN(CC2=CC=CC=C2Cl)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854198
Clinical Trials
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 3.25 Chemaxon pKa (Strongest Acidic) 4.05 Chemaxon pKa (Strongest Basic) 0.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 118.97 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 125.28 m3·mol-1 Chemaxon Polarizability 48.15 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 07, 2023 16:00 / Updated at September 28, 2023 05:47