NAV

PI-103

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

Identification

Generic Name
PI-103
DrugBank Accession Number
DB17046
Background

PI-103 is an inhibitor of p110α of class I PI3K.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 348.362
Monoisotopic: 348.122240391
Chemical Formula
C19H16N4O3
Synonyms
  • Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-
External IDs
  • PI-103
  • PIK-103
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YQX02F616F
CAS number
371935-74-9
InChI Key
TUVCWJQQGGETHL-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
IUPAC Name
3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol
SMILES
OC1=CC=CC(=C1)C1=NC(N2CCOCC2)=C2OC3=NC=CC=C3C2=N1

References

General References
  1. Maurya AK, Vinayak M: PI-103 attenuates PI3K-AKT signaling and induces apoptosis in murineT-cell lymphoma. Leuk Lymphoma. 2017 May;58(5):1153-1161. doi: 10.1080/10428194.2016.1225207. Epub 2016 Sep 23. [Article]
Human Metabolome Database
HMDB0256521
ChemSpider
8060359
BindingDB
25045
ChEBI
90524
ChEMBL
CHEMBL573339
ZINC
ZINC000003963016
PDBe Ligand
X6K
PDB Entries
2x6k / 4jt6 / 4l23

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 Solubility0.279 mg/mLALOGPS
logP3.23ALOGPS
logP3.53Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)9.4Chemaxon
pKa (Strongest Basic)2.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.51 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity106.52 m3·mol-1Chemaxon
Polarizability36.76 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 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 18:14 / Updated at December 01, 2022 11:34