PCS-499
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The therapeutic efficacy of 1,2-Benzodiazepine can be decreased when used in combination with PCS-499. Acebutolol The risk or severity of adverse effects can be increased when Acebutolol is combined with PCS-499. Acetazolamide Acetazolamide may increase the excretion rate of PCS-499 which could result in a lower serum level and potentially a reduction in efficacy. Adalimumab The serum concentration of PCS-499 can be decreased when it is combined with Adalimumab. Adenosine The 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
- External Links
- ChemSpider
- 64854385
- ChEMBL
- CHEMBL4297371
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Kidney Disease (CKD) / Type 2 Diabetes Mellitus 1 1 Completed Treatment Chronic Kidney Disease, Stage 3 (Moderate) 1 1 Completed Treatment Diabetic Nephropathy 1
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
Property Value Source Water Solubility 7.76 mg/mL ALOGPS logP 0.78 ALOGPS logP 0.2 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 17.68 Chemaxon pKa (Strongest Basic) -1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 78.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 74.65 m3·mol-1 Chemaxon Polarizability 30.03 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03e9-0090000000-778278212a3256117503 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-0290000000-2ca1a3dd0c22d31e63c7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01q9-1790000000-4d1f6d6b1b09cb5235f7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-08fr-3950000000-52ee22108b0af4e67313 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08ml-2910000000-e1f065e3b2085bf3fc98 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-06r6-7920000000-44deb11542872b0af72c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:51 / Updated at October 05, 2023 17:34