Cerlapirdine
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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
- Cerlapirdine
- DrugBank Accession Number
- DB12229
- Background
Cerlapirdine has been investigated for the treatment of Alzheimer Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 409.5
Monoisotopic: 409.146012787 - Chemical Formula
- C22H23N3O3S
- Synonyms
- Cerlapirdine
- External IDs
- PF-05212365
- SAM-531
- SAM-531 FREE BASE
- WAY-262,531
- WAY-262531
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism A5-hydroxytryptamine receptor 6 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
- 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 risk or severity of CNS depression can be increased when Cerlapirdine is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Cerlapirdine is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Cerlapirdine. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Cerlapirdine. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Cerlapirdine. - 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 Cerlapirdine Hydrochloride 2VCB4037GE 925447-04-7 RNGAZJUESDPASQ-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Not Available
- Direct Parent
- Naphthalenes
- Alternative Parents
- Indazoles / Phenol ethers / Alkyl aryl ethers / Sulfones / Pyrazoles / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzopyrazole / Ether / Heteroaromatic compound / Hydrocarbon derivative / Indazole
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- EK40PJ0V49
- CAS number
- 925448-93-7
- InChI Key
- NXQGEDVQXVTCDA-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
- IUPAC Name
- dimethyl(3-{[3-(naphthalene-1-sulfonyl)-1H-indazol-5-yl]oxy}propyl)amine
- SMILES
- CN(C)CCCOC1=CC=C2NN=C(C2=C1)S(=O)(=O)C1=C2C=CC=CC2=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16071605
- PubChem Substance
- 347828508
- ChemSpider
- 17231095
- BindingDB
- 50044616
- ChEMBL
- CHEMBL2103880
- Wikipedia
- Cerlapirdine
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Not Available Alzheimer's Disease (AD) 1 somestatus stop reason just information to hide 2 Terminated Treatment Alzheimer's Disease (AD) 1 somestatus stop reason just information to hide 1 Completed Not Available Adults / Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 1 Completed Basic Science Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 1 Completed Health Services Research Alzheimer's Disease (AD) 1 somestatus stop reason just information to hide
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 0.00476 mg/mL ALOGPS logP 3.4 ALOGPS logP 3.49 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 9.13 Chemaxon pKa (Strongest Basic) 7.83 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.29 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 115.72 m3·mol-1 Chemaxon Polarizability 43.36 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-03di-0000900000-8cb124dc71cf76dfb7a6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-0900700000-4f9d27978d125fb88762 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-0009600000-8d3ef27deeb7fee86027 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6u-0904600000-02cb18d3213162e3e9a7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0bvl-9804200000-c64a84785f7fd6c762c2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-05cr-0902000000-9954f19564ba6a66563c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.1535 predictedDeepCCS 1.0 (2019) [M+H]+ 193.59259 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.09792 predictedDeepCCS 1.0 (2019)
Targets
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1. Details5-hydroxytryptamine receptor 6
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- G-protein coupled receptor for 5-hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone and a mitogen (PubMed:35714614, PubMed:36989299, PubMed:37327704, PubMed:8522988). Also has a high affinity for tricyclic psychotropic drugs (By similarity). Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of downstream effectors (PubMed:35714614). HTR6 is coupled to G(s) G alpha proteins and mediates activation of adenylate cyclase activity (PubMed:35714614, PubMed:37327704). Controls pyramidal neurons migration during corticogenesis, through the regulation of CDK5 activity (By similarity). Is an activator of mTOR signaling (PubMed:23027611)
- Specific Function
- G protein-coupled serotonin receptor activity
- Gene Name
- HTR6
- Uniprot ID
- P50406
- Uniprot Name
- 5-hydroxytryptamine receptor 6
- Molecular Weight
- 46953.625 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:41 / Updated at August 27, 2024 19:15