Piclozotan

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

Identification

Name
Piclozotan
Accession Number
DB12361
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
FQE44HS7AH
CAS number
182415-09-4
Weight
Average: 409.91
Monoisotopic: 409.1557047
Chemical Formula
C23H24ClN3O2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of adverse effects can be increased when Piclozotan is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of adverse effects can be increased when Piclozotan is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of adverse effects can be increased when Piclozotan is combined with 4-hydroxycoumarin.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe metabolism of Piclozotan can be decreased when combined with 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline.
AcenocoumarolThe risk or severity of adverse effects can be increased when Piclozotan is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Piclozotan.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Piclozotan.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Piclozotan.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Piclozotan.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Piclozotan.
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentParkinson's Disease (PD)1
2TerminatedTreatmentStrokes1

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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Benzoxazepine / Hydropyridine / Pyridine / Benzenoid / Tertiary carboxylic acid amide / Heteroaromatic compound / Amino acid or derivatives / Carboxamide group / Lactam / Tertiary amine
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:05 / Updated on October 01, 2018 15:13