NAV

Piclozotan

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

Identification

Generic Name
Piclozotan
DrugBank Accession Number
DB12361
Background

Piclozotan has been investigated for the treatment of Parkinson's Disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 409.91
Monoisotopic: 409.1557047
Chemical Formula
C23H24ClN3O2
Synonyms
  • Piclozotan
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Piclozotan is combined with 1,2-Benzodiazepine.
AcebutololPiclozotan may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Piclozotan.
AcemetacinThe risk or severity of hypertension can be increased when Piclozotan is combined with Acemetacin.
AcenocoumarolThe risk or severity of adverse effects can be increased when Piclozotan is combined with Acenocoumarol.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzoxazepines
Sub Class
Not Available
Direct Parent
Benzoxazepines
Alternative Parents
Hydropyridines / Benzenoids / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines / Lactams / Amino acids and derivatives / Vinyl chlorides / Oxacyclic compounds / Chloroalkenes
show 5 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzoxazepine / Carboxamide group / Carboxylic acid derivative / Chloroalkene / Haloalkene
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
FQE44HS7AH
CAS number
182415-09-4
InChI Key
URMTUEWUIGOJBW-UHFFFAOYSA-N
InChI
InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2
IUPAC Name
3-chloro-4-(4-{1',2',3',6'-tetrahydro-[2,4'-bipyridine]-1'-yl}butyl)-4,5-dihydro-1,4-benzoxazepin-5-one
SMILES
ClC1=COC2=CC=CC=C2C(=O)N1CCCCN1CCC(=CC1)C1=CC=CC=N1

References

General References
Not Available
PubChem Compound
9801640
PubChem Substance
347828614
ChemSpider
7977402
BindingDB
50097342
ChEMBL
CHEMBL345237
Wikipedia
Piclozotan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentParkinson's Disease (PD)1
2TerminatedTreatmentStroke1

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 Solubility0.0685 mg/mLALOGPS
logP4.3ALOGPS
logP3.75Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)8.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area45.67 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity126.13 m3·mol-1Chemaxon
Polarizability45.08 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-af719289df1962c81e7a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0292700000-53724731c11feae3bcf4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0005900000-f2dba12fc873b0304f7a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ai-7139800000-5bbedc3b8f80143281ef
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lu-0952000000-aa486ff6b135e06eb212
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-3913200000-f78cbfa0a7ec8fdd1e56
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]-185.43336
predicted
DeepCCS 1.0 (2019)
[M+H]+187.79137
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.69414
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:05 / Updated at February 21, 2021 18:53