NAV

PRI-724

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

Identification

Generic Name
PRI-724
DrugBank Accession Number
DB15034
Background

PRI-724 is under investigation in clinical trial NCT03620474 (Safety and Effectiveness of PRI-724 for Hepatitis C or B Virus Derived Liver Cirrhosis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 658.652
Monoisotopic: 658.230484489
Chemical Formula
C33H35N6O7P
Synonyms
Not Available
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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
43Y934BBZ6
CAS number
1198780-38-9
InChI Key
VHOZWHQPEJGPCC-AZXNYEMZSA-N
InChI
InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1
IUPAC Name
(4-{[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-[(quinolin-8-yl)methyl]-octahydro-1H-pyrazino[2,1-c][1,2,4]triazin-6-yl]methyl}phenoxy)phosphonic acid
SMILES
C[C@H]1[C@H]2N([C@@H](CC3=CC=C(OP(O)(O)=O)C=C3)C(=O)N1CC1=CC=CC3=C1N=CC=C3)C(=O)CN(C)N2C(=O)NCC1=CC=CC=C1

References

General References
Not Available
ChemSpider
64854018

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentCirrhosis of the Liver1
2WithdrawnTreatmentColorectal Adenocarcinoma / Stage IVA Colorectal Cancer / Stage IVB Colorectal Cancer1
1CompletedTreatmentAdvanced Pancreatic Cancers / Pancreatic Adenocarcinoma / Pancreatic Metastatic Cancer1
1CompletedTreatmentCirrhosis of the Liver1
1CompletedTreatmentHepatitis C Virus-infected Cirrhosis1

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 Solubility0.00634 mg/mLALOGPS
logP2.09ALOGPS
logP0.44Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)1.81Chemaxon
pKa (Strongest Basic)4.12Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area155.85 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity171.76 m3·mol-1Chemaxon
Polarizability65.6 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-0000089000-f58cadc2442618625f4a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9400002000-0a18b7af48ddd466dd08
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfu-2000095000-db4210cbd5cf7820e13f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-455d394fad6c23f2fb80
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-3701982000-3b2de69f821abebc7146
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-15894a95ab99f09f7120
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:44 / Updated at June 12, 2020 16:53