CT-2584
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- CT-2584
- DrugBank Accession Number
- DB13098
- Background
CT-2584 has been used in trials studying the treatment of Prostate Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 533.802
Monoisotopic: 533.430490651 - Chemical Formula
- C30H55N5O3
- Synonyms
- Not Available
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key CT-2584 mesylate 6YX1G1VY8K 353525-62-9 Not applicable
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 / N-substituted imidazoles / Vinylogous amides / Heteroaromatic compounds / Ureas / Secondary alcohols / Lactams / 1,2-aminoalcohols show 4 more
- Substituents
- 1,2-aminoalcohol / 6-oxopurine / Alcohol / Alkaloid or derivatives / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 67E5N3R22H
- CAS number
- 166981-13-1
- InChI Key
- MZNMZWZGUGFQJP-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3
- IUPAC Name
- 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- SMILES
- CCCCCCCCCCCCNCC(O)CCCCCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0250557
- PubChem Compound
- 3081346
- PubChem Substance
- 347829222
- ChemSpider
- 2338968
- ChEMBL
- CHEMBL4297274
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Prostate Cancer 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 0.000453 mg/mL ALOGPS logP 5.92 ALOGPS logP 6.58 Chemaxon logS -6.1 ALOGPS pKa (Strongest Acidic) 14.9 Chemaxon pKa (Strongest Basic) 10.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 90.7 Å2 Chemaxon Rotatable Bond Count 23 Chemaxon Refractivity 156.32 m3·mol-1 Chemaxon Polarizability 68.13 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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]- 235.49117 predictedDeepCCS 1.0 (2019) [M+H]+ 239.04202 predictedDeepCCS 1.0 (2019) [M+Na]+ 247.8571 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 03:02 / Updated at December 13, 2022 10:46