AMG-319
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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
- AMG-319
- DrugBank Accession Number
- DB16879
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 385.406
Monoisotopic: 385.145121706 - Chemical Formula
- C21H16FN7
- Synonyms
- AMG319
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
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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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 19DG7G1U5Q
- CAS number
- 1608125-21-8
- InChI Key
- KWRYMZHCQIOOEB-LBPRGKRZSA-N
- InChI
- InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1
- IUPAC Name
- N-[(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl]-9H-purin-6-amine
- SMILES
- C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=C(C=C(F)C=C2)N=C1C1=NC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 35000181
- ChEMBL
- CHEMBL4303596
- ZINC
- ZINC000146560539
- PDBe Ligand
- 3VC
- PDB Entries
- 4wwn
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 Water Solubility 0.0121 mg/mL ALOGPS logP 3.1 ALOGPS logP 3.41 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 9.86 Chemaxon pKa (Strongest Basic) 4.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 92.27 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 107.5 m3·mol-1 Chemaxon Polarizability 39.2 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-000i-0009000000-3bfe8df6650d01b4fe82 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0119000000-810ed722a208b6115e44 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-17c02a68b9a086d43951 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-2119000000-4dc5eae01780b9579716 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gei-0492000000-39bedeb65db7004df2c2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-3449000000-f58e8b9cb6d2fad6d3fe 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 July 28, 2022 15:05 / Updated at December 01, 2022 11:32