NAV

PD-169316

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

Identification

Generic Name
PD-169316
DrugBank Accession Number
DB17040
Background

PD-169316 is a p38 MAP kinase inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 360.348
Monoisotopic: 360.102253838
Chemical Formula
C20H13FN4O2
Synonyms
  • 2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1h-imidazole
  • Pyridine, 4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1h-imidazol-5-yl)-
  • Pyridine, 4-(5-(4-fluorophenyl)-2-(4-nitrophenyl)-1h-imidazol-4-yl)-
External IDs
  • J1.342.800J
  • PD-169316
  • PD168316
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GX3Y2V80CV
CAS number
152121-53-4
InChI Key
BGIYKDUASORTBB-UHFFFAOYSA-N
InChI
InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
IUPAC Name
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1

References

General References
  1. Reddy GS, Mukhopadhyay AG, Dey CS: The p38 MAP kinase inhibitor, PD 169316, inhibits flagellar motility in Leishmania donovani. Biochem Biophys Res Commun. 2017 Dec 2;493(4):1425-1429. doi: 10.1016/j.bbrc.2017.09.135. Epub 2017 Sep 27. [Article]
Human Metabolome Database
HMDB0244687
ChemSpider
4550
BindingDB
50230001
ChEBI
93358
ChEMBL
CHEMBL17331
ZINC
ZINC000008536496

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 Solubility0.0027 mg/mLALOGPS
logP4.47ALOGPS
logP4.34Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)11.75Chemaxon
pKa (Strongest Basic)5.12Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.71 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity108.27 m3·mol-1Chemaxon
Polarizability36.4 Å3Chemaxon
Number of Rings4Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 17:38 / Updated at December 01, 2022 11:34