NAV

ALK-4290

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
ALK-4290
DrugBank Accession Number
DB15269
Background

ALK-4290 is under investigation in clinical trial NCT03558061 (Evaluate the Effects and Safety of ALK4290 in Patients With Newly Diagnosed Wet Age-Related Macular Degeneration).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 512.05
Monoisotopic: 511.2350177
Chemical Formula
C27H34ClN5O3
Synonyms
Not Available
External IDs
  • ALK4290
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Pharmacology

Indication

Not Available

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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
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Benzylpiperidines
Direct Parent
N-benzylpiperidines
Alternative Parents
Proline and derivatives / Alpha amino acid amides / Pyridinecarboxamides / Benzylamines / N-arylamides / Phenylmethylamines / Pyrrolidinecarboxamides / Aralkylamines / Toluenes / Chlorobenzenes
show 15 more
Substituents
2-pyrrolidone / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle
show 37 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R0T9LLR4TN
CAS number
1251528-23-0
InChI Key
DWKNOLCXIFYNFV-HSZRJFAPSA-N
InChI
InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
IUPAC Name
2-[(2R)-1-{1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl}-5-oxopyrrolidine-2-amido]-N,N,6-trimethylpyridine-4-carboxamide
SMILES
CN(C)C(=O)C1=CC(NC(=O)[C@H]2CCC(=O)N2C2CCN(CC3=CC=C(Cl)C(C)=C3)CC2)=NC(C)=C1

References

General References
Not Available
ChemSpider
58893108
BindingDB
123072
ChEMBL
CHEMBL3670800
ZINC
ZINC000068247095

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNeovascular Age-Related Macular Degeneration (nAMD)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
PropertyValueSource
Water Solubility0.104 mg/mLALOGPS
logP2.94ALOGPS
logP2.44Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)11.69Chemaxon
pKa (Strongest Basic)7.71Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.85 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity142.79 m3·mol-1Chemaxon
Polarizability54.48 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-03xr-0000790000-8d1f7dac6ab89512fa55
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0il0-0970040000-91fca558426e90083d8b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-08fr-0943160000-99d21434100a1936ad52
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q0-1920440000-cafaf2bb1a29becde5fe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06s9-0954220000-be9bbf61b4646e8cf518
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01qi-5791120000-4f9d08ceb566797e82a6
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:06 / Updated at June 12, 2020 16:53