NAV

IQP-0528

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

Identification

Generic Name
IQP-0528
DrugBank Accession Number
DB14888
Background

IQP-0528 is under investigation in clinical trial NCT03082690 (ImQuest (IQP) DuoGel Phase 1 Pharmacokinetic Study).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 340.423
Monoisotopic: 340.178692641
Chemical Formula
C20H24N2O3
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Aryl-phenylketones
Alternative Parents
Pyrimidinecarboxylic acids and derivatives / m-Xylenes / Benzoyl derivatives / Pyrimidones / Hydropyrimidines / Vinylogous amides / Heteroaromatic compounds / Ureas / Lactams / Azacyclic compounds
show 4 more
Substituents
Aromatic heteromonocyclic compound / Aryl-phenylketone / Azacycle / Benzenoid / Benzoyl / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / M-xylene
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1Y42TZL33O
CAS number
301297-45-0
InChI Key
UCOAKFIVSAVHLC-UHFFFAOYSA-N
InChI
InChI=1S/C20H24N2O3/c1-11(2)16-17(18(23)15-8-12(3)7-13(4)9-15)22(10-14-5-6-14)20(25)21-19(16)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,21,24,25)
IUPAC Name
1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
CC(C)C1=C(N(CC2CC2)C(=O)NC1=O)C(=O)C1=CC(C)=CC(C)=C1

References

General References
Not Available
ChemSpider
424019
ChEMBL
CHEMBL556417
ZINC
ZINC000006521896

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherHIV, Prevention1

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 Solubility0.0346 mg/mLALOGPS
logP2.89ALOGPS
logP3.68Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)9.93Chemaxon
pKa (Strongest Basic)-4.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area66.48 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity97.52 m3·mol-1Chemaxon
Polarizability37.24 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0019000000-5c0b1c7550ad8c1d2f20
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-802a6492178327a0b92a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0139000000-7169f89ce333e22817f3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0129000000-75b2b4fafda2225c6c41
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aou-6911000000-ee7f1a150c6106cf5424
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zfr-1893000000-2f44942e5338b5e5fd5e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:33 / Updated at June 12, 2020 16:53