Imaradenant

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

Identification

Generic Name
Imaradenant
DrugBank Accession Number
DB16192
Background

Imaradenant is under investigation in clinical trial NCT03381274 (Oleclumab (MEDI9447) Egfrm NSCLC Novel Combination Study).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 315.74
Monoisotopic: 315.0687012
Chemical Formula
C15H11ClFN5
Synonyms
  • Imaradenant
External IDs
  • AZD 4635
  • AZD-4635
  • AZD4635
  • HTL-1071
  • HTL1071

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
770140J08A
CAS number
1321514-06-0
InChI Key
NCWQLHHDGDXIJN-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
IUPAC Name
6-(2-chloro-6-methylpyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILES
CC1=NC(Cl)=CC(=C1)C1=NN=C(N)N=C1C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
67881922
PDBe Ligand
F9Q
PDB Entries
6gt3

Clinical Trials

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
PropertyValueSource
Water Solubility0.032 mg/mLALOGPS
logP2.89ALOGPS
logP2.87Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)14.87Chemaxon
pKa (Strongest Basic)3.04Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area77.58 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity85.28 m3·mol-1Chemaxon
Polarizability29.96 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-014i-0009000000-0a655f4dfc9f83e34120
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-9154acf580cf598de22a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0029000000-713776541b0b633e1f90
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-85cd23584adfce74c289
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-0190000000-002dac5bc962853817ab
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-5690000000-cdf91f12d3dc9ee41a3e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55