AMG-319

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 rates
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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
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
ChemSpider
35000181
ChEMBL
CHEMBL4303596
ZINC
ZINC000146560539
PDBe Ligand
3VC
PDB Entries
4wwn

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0121 mg/mLALOGPS
logP3.1ALOGPS
logP3.41Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)9.86Chemaxon
pKa (Strongest Basic)4.02Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area92.27 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity107.5 m3·mol-1Chemaxon
Polarizability39.2 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-000i-0009000000-3bfe8df6650d01b4fe82
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0119000000-810ed722a208b6115e44
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-17c02a68b9a086d43951
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-2119000000-4dc5eae01780b9579716
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gei-0492000000-39bedeb65db7004df2c2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-3449000000-f58e8b9cb6d2fad6d3fe
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 28, 2022 15:05 / Updated at December 01, 2022 11:32