NAV

Z-160

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

Identification

Generic Name
Z-160
DrugBank Accession Number
DB12743
Background

Z160 has been used in trials studying the treatment of Postherpetic Neuralgia and Lumbosacral Radiculopathy.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 460.621
Monoisotopic: 460.251463658
Chemical Formula
C32H32N2O
Synonyms
  • 1-(4-Benzhydryl-piperazin-1-yl)-3,3-diphenylpropan-1-one
  • 1-(4-Benzhydrylpiperazin-1-yl)-3,3-Diphenylpropan-1-one
External IDs
  • Z-160
  • Z160
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
N-alkylpiperazines / Aralkylamines / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
1,4-diazinane / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Diphenylmethane
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TX3R141LEP
CAS number
41332-24-5
InChI Key
VCPMZDWBEWTGNW-UHFFFAOYSA-N
InChI
InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
IUPAC Name
1-[4-(diphenylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILES
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
4988454
PubChem Substance
347828933
ChemSpider
4168662
BindingDB
50461289
ChEMBL
CHEMBL604710
ZINC
ZINC000020509316

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRadiculopathy, Lumbosacral Region1

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 Solubility0.000237 mg/mLALOGPS
logP5.34ALOGPS
logP6.47Chemaxon
logS-6.3ALOGPS
pKa (Strongest Basic)7.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area23.55 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity143.17 m3·mol-1Chemaxon
Polarizability53.44 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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-0002900000-13138012eac4e1c35bf0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000900000-bfd352f92d419913e76e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0221900000-e0cc24c0316552e109e6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0361900000-ac43e785cf0ef388319c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gbc-4930000000-b02ae3d056284d55c19c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0890200000-1f3ef80cc600a739b5a6
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]-229.5496505
predicted
DarkChem Lite v0.1.0
[M-H]-199.9237
predicted
DeepCCS 1.0 (2019)
[M+H]+229.9183505
predicted
DarkChem Lite v0.1.0
[M+H]+202.31927
predicted
DeepCCS 1.0 (2019)
[M+Na]+229.1031505
predicted
DarkChem Lite v0.1.0
[M+Na]+208.23958
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:59 / Updated at December 01, 2022 11:27