NAV

PIK-75

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

Identification

Generic Name
PIK-75
DrugBank Accession Number
DB17047
Background

PIK-75 is a preferential p110 alpha/gamma PI3K inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 452.28
Monoisotopic: 450.994988
Chemical Formula
C16H14BrN5O4S
Synonyms
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-((6-bromoimidazo(1,2-a)pyridin-3-yl)methylene)-1-methylhydrazide
External IDs
  • PIK-75
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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
9058I8S63D
CAS number
945619-31-8
InChI Key
QTHCAAFKVUWAFI-DJKKODMXSA-N
InChI
InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
IUPAC Name
N'-[(E)-{6-bromoimidazo[1,2-a]pyridin-3-yl}methylidene]-N,2-dimethyl-5-nitrobenzene-1-sulfonohydrazide
SMILES
CN(\N=C\C1=CN=C2C=CC(Br)=CN12)S(=O)(=O)C1=CC(=CC=C1C)[N+]([O-])=O

References

General References
  1. Dagia NM, Agarwal G, Kamath DV, Chetrapal-Kunwar A, Gupte RD, Jadhav MG, Dadarkar SS, Trivedi J, Kulkarni-Almeida AA, Kharas F, Fonseca LC, Kumar S, Bhonde MR: A preferential p110alpha/gamma PI3K inhibitor attenuates experimental inflammation by suppressing the production of proinflammatory mediators in a NF-kappaB-dependent manner. Am J Physiol Cell Physiol. 2010 Apr;298(4):C929-41. doi: 10.1152/ajpcell.00461.2009. Epub 2010 Jan 20. [Article]
ChemSpider
8451267
BindingDB
25036
ChEMBL
CHEMBL393525
ZINC
ZINC000028652818
PDBe Ligand
F4N
PDB Entries
6gn1

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 Solubility0.00238 mg/mLALOGPS
logP2.86ALOGPS
logP2.87Chemaxon
logS-5.3ALOGPS
pKa (Strongest Basic)5.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area110.18 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity104.95 m3·mol-1Chemaxon
Polarizability40.26 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 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 18:16 / Updated at December 01, 2022 11:34