This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PRX-08066
- DrugBank Accession Number
- DB05607
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PRX-08066 (DB05607)
- Weight
- Average: 517.96
Monoisotopic: 517.0986812 - Chemical Formula
- C23H21ClFN5O4S
- Synonyms
- 5-((4-(6-CHLOROTHIENO(2,3-D)PYRIMIDINE-4-YLAMINO)PIPERIDIN-1-YL)METHYL)-2-FLUOROBENZONITRILE MONOFUMURATE
- 5-((4-(6-chlorothieno[2,3-d]pyrimidine-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile monofumurate
Pharmacology
- Indication
Investigated for use/treatment in chronic obstructive pulmonary disease (COPD) and pulmonary hypertension.
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Not Available
- Mechanism of action
Target Actions Organism U5-hydroxytryptamine receptor 2B antagonistHumans - 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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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 risk or severity of CNS depression can be increased when PRX-08066 is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when PRX-08066 is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with PRX-08066. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with PRX-08066. Agomelatine The risk or severity of CNS depression can be increased when PRX-08066 is combined with Agomelatine. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with PRX-08066. Alimemazine The risk or severity of CNS depression can be increased when Alimemazine is combined with PRX-08066. Almotriptan The risk or severity of CNS depression can be increased when Almotriptan is combined with PRX-08066. Alosetron The risk or severity of CNS depression can be increased when Alosetron is combined with PRX-08066. Alprazolam The risk or severity of CNS depression can be increased when Alprazolam is combined with PRX-08066. 
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- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Benzylpiperidines
- Direct Parent
- N-benzylpiperidines
- Alternative Parents
- Thienopyrimidines / 2,3,5-trisubstituted thiophenes / Phenylmethylamines / Benzonitriles / Benzylamines / Secondary alkylarylamines / Aminopyrimidines and derivatives / Aralkylamines / Fluorobenzenes / Unsaturated fatty acids show 14 more
- Substituents
- 2,3,5-trisubstituted thiophene / Amine / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Benzenoid show 35 more
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 92E9B7675Y
- CAS number
- Not Available
- InChI Key
- RPYIKXHIQXRXEM-WLHGVMLRSA-N
- InChI
- InChI=1S/C19H17ClFN5S.C4H4O4/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22;5-3(6)1-2-4(7)8/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; 5-{[4-({6-chlorothieno[2,3-d]pyrimidin-4-yl}amino)piperidin-1-yl]methyl}-2-fluorobenzonitrile
- SMILES
- OC(=O)\C=C\C(O)=O.FC1=C(C=C(CN2CCC(CC2)NC2=C3C=C(Cl)SC3=NC=N2)C=C1)C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 25069713
- ChEMBL
- CHEMBL4297322
- Wikipedia
- PRX-08066
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) / Pulmonary Hypertension (PH) 1 2 Terminated Treatment Chronic Obstructive Pulmonary Disease (COPD) / Pulmonary Hypertension (PH) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00421 mg/mL ALOGPS logP 4.19 ALOGPS logP 3.88 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 18.39 Chemaxon pKa (Strongest Basic) 7.34 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 106.49 m3·mol-1 Chemaxon Polarizability 40.92 Å3 Chemaxon Number of Rings 4 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Antagonist
- General Function
- Serotonin receptor activity
- Specific Function
- G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various ergot alkaloid derivatives and psychoactive substances. Ligand binding causes a conformation...
- Gene Name
- HTR2B
- Uniprot ID
- P41595
- Uniprot Name
- 5-hydroxytryptamine receptor 2B
- Molecular Weight
- 54297.41 Da
References
- Porvasnik SL, Germain S, Embury J, Gannon KS, Jacques V, Murray J, Byrne BJ, Shacham S, Al-Mousily F: PRX-08066, a novel 5-hydroxytryptamine receptor 2B antagonist, reduces monocrotaline-induced pulmonary arterial hypertension and right ventricular hypertrophy in rats. J Pharmacol Exp Ther. 2010 Aug;334(2):364-72. doi: 10.1124/jpet.109.165001. Epub 2010 Apr 29. [Article]
Drug created at November 18, 2007 18:26 / Updated at September 12, 2023 18:32