Preladenant
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Preladenant
- DrugBank Accession Number
- DB11864
- Background
Preladenant has been used in trials studying the treatment of Brain Diseases, Parkinson Disease, Movement Disorders, Antipsychotic Agents, and Parkinsonian Disorders, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 503.567
Monoisotopic: 503.23933583 - Chemical Formula
- C25H29N9O3
- Synonyms
- Preladenant
- External IDs
- SCH 420814
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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- Phenylpiperazines
- Alternative Parents
- N-arylpiperazines / Triazolopyrimidines / Aminophenyl ethers / Pyrazolo[3,4-d]pyrimidines / Aniline and substituted anilines / Phenoxy compounds / Dialkylarylamines / Alkyl aryl ethers / Aminopyrimidines and derivatives / N-alkylpiperazines show 10 more
- Substituents
- 1,2,4-triazole / Alkyl aryl ether / Amine / Aminophenyl ether / Aminopyrimidine / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 950O97NUPO
- CAS number
- 377727-87-2
- InChI Key
- DTYWJKSSUANMHD-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
- IUPAC Name
- 4-(furan-2-yl)-10-(2-{4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl}ethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
- SMILES
- COCCOC1=CC=C(C=C1)N1CCN(CCN2N=CC3=C2N=C(N)N2N=C(N=C32)C2=CC=CO2)CC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10117987
- PubChem Substance
- 347828202
- ChemSpider
- 8293510
- BindingDB
- 50202986
- ChEMBL
- CHEMBL240624
- ZINC
- ZINC000053006885
- Wikipedia
- Preladenant
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Idiopathic Parkinson's Disease / Parkinson's Disease (PD) 1 3 Completed Treatment Parkinson's Disease (PD) 1 3 Terminated Treatment Idiopathic Parkinson's Disease / Parkinson's Disease (PD) 1 3 Terminated Treatment Parkinson's Disease (PD) 1 2 Completed Treatment Brain Disorders / Central Nervous System Disorder / Motor Skills Disorders / Neurodegenerative Disorders / Parkinson's Disease (PD) 2
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 0.218 mg/mL ALOGPS logP 2.78 ALOGPS logP 2.72 Chemaxon logS -3.4 ALOGPS pKa (Strongest Basic) 7.95 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 125 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 172.18 m3·mol-1 Chemaxon Polarizability 56.43 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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]- 239.2809561 predictedDarkChem Lite v0.1.0 [M-H]- 216.00471 predictedDeepCCS 1.0 (2019) [M+H]+ 239.6056561 predictedDarkChem Lite v0.1.0 [M+H]+ 218.4003 predictedDeepCCS 1.0 (2019) [M+Na]+ 239.1492561 predictedDarkChem Lite v0.1.0 [M+Na]+ 224.85185 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:55 / Updated at February 21, 2021 18:53