Cerlapirdine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Cerlapirdine is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Cerlapirdine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Cerlapirdine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Cerlapirdine.
AgomelatineThe 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 regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Cerlapirdine Hydrochloride2VCB4037GE925447-04-7RNGAZJUESDPASQ-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
PubChem Compound
16071605
PubChem Substance
347828508
ChemSpider
17231095
BindingDB
50044616
ChEMBL
CHEMBL2103880
Wikipedia
Cerlapirdine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedNot AvailableAlzheimer's Disease (AD)1
2TerminatedTreatmentAlzheimer's Disease (AD)1
1CompletedNot AvailableAdults / Healthy Volunteers (HV)1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedHealth Services ResearchAlzheimer's Disease (AD)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
PropertyValueSource
Water Solubility0.00476 mg/mLALOGPS
logP3.4ALOGPS
logP3.49Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)9.13Chemaxon
pKa (Strongest Basic)7.83Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area75.29 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity115.72 m3·mol-1Chemaxon
Polarizability43.36 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-8cb124dc71cf76dfb7a6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-0900700000-4f9d27978d125fb88762
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0009600000-8d3ef27deeb7fee86027
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6u-0904600000-02cb18d3213162e3e9a7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bvl-9804200000-c64a84785f7fd6c762c2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05cr-0902000000-9954f19564ba6a66563c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-191.1535
predicted
DeepCCS 1.0 (2019)
[M+H]+193.59259
predicted
DeepCCS 1.0 (2019)
[M+Na]+201.09792
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:41 / Updated at February 21, 2021 18:53