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

Identification

Generic Name
IPI-549
DrugBank Accession Number
DB16296
Background

IPI-549 is under investigation in clinical trial NCT03795610 (Window of Opportunity Study of IPI-549 in Patients With Locally Advanced HPV+ and HPV- Head and Neck Squamous Cell Carcinoma).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 528.576
Monoisotopic: 528.202222045
Chemical Formula
C30H24N8O2
Synonyms
  • Pi3k-gamma inhibitor ipi-549
External IDs
  • IPI-549

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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
FOF5155FMZ
CAS number
1693758-51-8
InChI Key
XUMALORDVCFWKV-IBGZPJMESA-N
InChI
InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
IUPAC Name
2-amino-N-[(1S)-1-{8-[2-(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES
C[C@H](NC(=O)C1=C2N=CC=CN2N=C1N)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(=CC=C2)C#CC1=CN(C)N=C1

References

General References
Not Available
ChemSpider
60600433
ChEMBL
CHEMBL3984425
ZINC
ZINC000584906867
PDBe Ligand
V7Y
Wikipedia
Eganelisib
PDB Entries
6xrl / 7jwz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentBladder Cancer, Cancer / Cancer, Advanced / Solid Tumors / Urothelial Carcinoma1
2Active Not RecruitingTreatmentBreast Cancer / Renal Cell Carcinoma1
2RecruitingTreatmentHead and Neck Carcinoma / HPV-Related Carcinoma / HPV-Related Malignancy / HPV-Related Squamous Cell Carcinoma / Squamous Cell Carcinoma of the Head and Neck (SCCHN) / Stage III Head And Neck Cancer / Stage IV Head and Neck Cancer1
1Active Not RecruitingTreatmentAdrenocortical Carcinoma (Part G) / Advanced Solid Tumors (Part A/B/C/D) / High-circulating Myeloid-derived Suppressor Cells (Part H) / Melanoma (Part E) / Mesothelioma (Part G) / Non-small Cell Lung Cancer (Part E) / Squamous Cell Cancer of the Head and Neck (Part E) / Triple Negative Breast Cancer (Part F)1
1CompletedTreatmentOvarian Cancer / Triple Negative Breast Cancer1

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 Solubility0.0055 mg/mLALOGPS
logP3.22ALOGPS
logP3.99ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)10.95ChemAxon
pKa (Strongest Basic)2.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area123.44 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity171.13 m3·mol-1ChemAxon
Polarizability55.49 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:18 / Updated at December 20, 2020 03:41