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
Structured Indications
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
DrugInteractionDrug group
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.Experimental
AmphetamineThe metabolism of Piclozotan can be decreased when combined with Amphetamine.Approved, Illicit, Investigational
BenmoxinThe metabolism of Piclozotan can be decreased when combined with Benmoxin.Withdrawn
BrofaromineThe metabolism of Piclozotan can be decreased when combined with Brofaromine.Experimental
BromocriptineBromocriptine may increase the vasoconstricting activities of Piclozotan.Approved, Investigational
CabergolineCabergoline may increase the vasoconstricting activities of Piclozotan.Approved
CaroxazoneThe metabolism of Piclozotan can be decreased when combined with Caroxazone.Withdrawn
DihydroergotamineDihydroergotamine may increase the vasoconstricting activities of Piclozotan.Approved, Investigational
DroxidopaPiclozotan may increase the hypertensive activities of Droxidopa.Approved, Investigational
Ergoloid mesylateErgoloid mesylate may increase the vasoconstricting activities of Piclozotan.Approved
ErgonovineErgonovine may increase the vasoconstricting activities of Piclozotan.Approved
ErgotamineErgotamine may increase the vasoconstricting activities of Piclozotan.Approved
FurazolidoneThe metabolism of Piclozotan can be decreased when combined with Furazolidone.Approved, Investigational, Vet Approved
HarmalineThe metabolism of Piclozotan can be decreased when combined with Harmaline.Experimental
HydracarbazineThe metabolism of Piclozotan can be decreased when combined with Hydracarbazine.Experimental
IproclozideThe metabolism of Piclozotan can be decreased when combined with Iproclozide.Withdrawn
IproniazidThe metabolism of Piclozotan can be decreased when combined with Iproniazid.Withdrawn
IsocarboxazidThe metabolism of Piclozotan can be decreased when combined with Isocarboxazid.Approved
MebanazineThe metabolism of Piclozotan can be decreased when combined with Mebanazine.Withdrawn
Methylene blueThe metabolism of Piclozotan can be decreased when combined with Methylene blue.Approved, Investigational
MethylergometrineMethylergometrine may increase the vasoconstricting activities of Piclozotan.Approved
MinaprineThe metabolism of Piclozotan can be decreased when combined with Minaprine.Approved
MoclobemideThe metabolism of Piclozotan can be decreased when combined with Moclobemide.Approved, Investigational
NialamideThe metabolism of Piclozotan can be decreased when combined with Nialamide.Withdrawn
OctamoxinThe metabolism of Piclozotan can be decreased when combined with Octamoxin.Withdrawn
PargylineThe metabolism of Piclozotan can be decreased when combined with Pargyline.Approved
PhenelzineThe metabolism of Piclozotan can be decreased when combined with Phenelzine.Approved
PheniprazineThe metabolism of Piclozotan can be decreased when combined with Pheniprazine.Withdrawn
PhenoxypropazineThe metabolism of Piclozotan can be decreased when combined with Phenoxypropazine.Withdrawn
PirlindoleThe metabolism of Piclozotan can be decreased when combined with Pirlindole.Approved
PivhydrazineThe metabolism of Piclozotan can be decreased when combined with Pivhydrazine.Withdrawn
ProcarbazineThe metabolism of Piclozotan can be decreased when combined with Procarbazine.Approved, Investigational
RasagilineThe metabolism of Piclozotan can be decreased when combined with Rasagiline.Approved
SafrazineThe metabolism of Piclozotan can be decreased when combined with Safrazine.Withdrawn
SelegilineThe metabolism of Piclozotan can be decreased when combined with Selegiline.Approved, Investigational, Vet Approved
ToloxatoneThe metabolism of Piclozotan can be decreased when combined with Toloxatone.Approved
TranylcypromineThe metabolism of Piclozotan can be decreased when combined with Tranylcypromine.Approved, Investigational
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 May 02, 2018 00:19