DPCPX
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- DPCPX
- DrugBank Accession Number
- DB12946
- Background
CPX has been used in trials studying the treatment of Cystic Fibrosis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 304.394
Monoisotopic: 304.189926029 - Chemical Formula
- C16H24N4O2
- Synonyms
- 8-cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
- 8-cyclopentyl-1,3-dipropylxanthine
- CPX
- External IDs
- PD 116948
- PD-116948
- PD116948
Pharmacology
- Indication
Not Available
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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
- 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.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 xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyrimidines
- Sub Class
- Purines and purine derivatives
- Direct Parent
- Xanthines
- Alternative Parents
- 6-oxopurines / Alkaloids and derivatives / Pyrimidones / Vinylogous amides / Imidazoles / Heteroaromatic compounds / Ureas / Lactams / Azacyclic compounds / Organopnictogen compounds show 4 more
- Substituents
- 6-oxopurine / Alkaloid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Lactam / Organic nitrogen compound show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- oxopurine (CHEBI:73282)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9PTP4FOI9E
- CAS number
- 102146-07-6
- InChI Key
- FFBDFADSZUINTG-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
- IUPAC Name
- 8-cyclopentyl-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
- SMILES
- CCCN1C2=C(N=C(N2)C2CCCC2)C(=O)N(CCC)C1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0247432
- KEGG Compound
- C13709
- PubChem Compound
- 1329
- PubChem Substance
- 347829089
- ChemSpider
- 1289
- BindingDB
- 21173
- ChEBI
- 73282
- ChEMBL
- CHEMBL183
- ZINC
- ZINC000003977757
- Wikipedia
- Dipropylcyclopentylxanthine
Clinical Trials
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 0.594 mg/mL ALOGPS logP 3.39 ALOGPS logP 2.74 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 11.57 Chemaxon pKa (Strongest Basic) 2.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.3 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 83.21 m3·mol-1 Chemaxon Polarizability 34.82 Å3 Chemaxon Number of Rings 3 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 185.2165641 predictedDarkChem Lite v0.1.0 [M-H]- 173.25711 predictedDeepCCS 1.0 (2019) [M+H]+ 185.5467641 predictedDarkChem Lite v0.1.0 [M+H]+ 175.61511 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.3417641 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.70827 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:32 / Updated at July 18, 2023 22:57