PCS-499

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

Identification

Generic Name
PCS-499
DrugBank Accession Number
DB15122
Background

PCS-499 is under investigation in clinical trial NCT01487109 (A Phase 2 Study to Evaluate the Safety and Efficacy of CTP-499 in Type 2 Diabetic Nephropathy Patients).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 285.359
Monoisotopic: 285.18492425
Chemical Formula
C13H20N4O3
Synonyms
  • Deuterated S-lisofylline
External IDs
  • CTP-499

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.
DrugInteraction
1,2-BenzodiazepineThe therapeutic efficacy of 1,2-Benzodiazepine can be decreased when used in combination with PCS-499.
AcebutololThe risk or severity of adverse effects can be increased when Acebutolol is combined with PCS-499.
AcetazolamideAcetazolamide may increase the excretion rate of PCS-499 which could result in a lower serum level and potentially a reduction in efficacy.
AdalimumabThe serum concentration of PCS-499 can be decreased when it is combined with Adalimumab.
AdenosineThe therapeutic efficacy of Adenosine can be decreased when used in combination with PCS-499.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
FLV771E8ZV
CAS number
1268605-91-9
InChI Key
NSMXQKNUPPXBRG-WHPHVCHMSA-N
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2
IUPAC Name
1-[(5S)-5-hydroxy(4,4,6,6,6-2H5)hexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES
[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O

References

General References
Not Available
ChemSpider
64854385
ChEMBL
CHEMBL4297371

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Kidney Disease (CKD) / Type 2 Diabetes Mellitus1
1CompletedTreatmentChronic Kidney Disease, Stage 3 (Moderate)1
1CompletedTreatmentDiabetic Nephropathy1

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 Solubility7.76 mg/mLALOGPS
logP0.78ALOGPS
logP0.2Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)17.68Chemaxon
pKa (Strongest Basic)-1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area78.67 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity74.65 m3·mol-1Chemaxon
Polarizability30.03 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-03e9-0090000000-778278212a3256117503
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-0290000000-2ca1a3dd0c22d31e63c7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-1790000000-4d1f6d6b1b09cb5235f7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fr-3950000000-52ee22108b0af4e67313
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08ml-2910000000-e1f065e3b2085bf3fc98
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r6-7920000000-44deb11542872b0af72c
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 14:51 / Updated at October 05, 2023 17:34