NAV

Gacyclidine

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

Identification

Generic Name
Gacyclidine
DrugBank Accession Number
DB13096
Background

Gacyclidine has been used in trials studying the treatment of Tinnitus.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 263.44
Monoisotopic: 263.170770983
Chemical Formula
C16H25NS
Synonyms
  • Gacyclidine
External IDs
  • NST-001
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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 aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Aralkylamines
Alternative Parents
Cyclohexylamines / Piperidines / Thiophenes / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Cyclohexylamine / Heteroaromatic compound / Hydrocarbon derivative / Organoheterocyclic compound / Organopnictogen compound / Piperidine / Tertiary aliphatic amine
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9290ND070R
CAS number
68134-81-6
InChI Key
DKFAAPPUYWQKKF-GOEBONIOSA-N
InChI
InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-,16+/m0/s1
IUPAC Name
1-[(1R,2S)-2-methyl-1-(thiophen-2-yl)cyclohexyl]piperidine
SMILES
C[C@H]1CCCC[C@]1(N1CCCCC1)C1=CC=CS1

References

General References
Not Available
PubChem Compound
176265
PubChem Substance
347829220
ChemSpider
153540
ChEMBL
CHEMBL1742478
ZINC
ZINC000004213419
Wikipedia
Gacyclidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentTinnitus1

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 Solubility0.0173 mg/mLALOGPS
logP5.34ALOGPS
logP4.77Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)10.45Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity79.01 m3·mol-1Chemaxon
Polarizability31.27 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0059-0930000000-fd2db13d5a3253115c24
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-b6254409ee989ace4128
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-91e8d91afdee6e236a94
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-2190000000-73b4d45a00f3524acccb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-e00075f389bbc9402dae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001s-9040000000-0a40f16b2089146c1e4a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002n-9610000000-271a4157b9e6c4f7d0b1
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]-162.3089898
predicted
DarkChem Lite v0.1.0
[M-H]-162.72295
predicted
DeepCCS 1.0 (2019)
[M+H]+162.2537898
predicted
DarkChem Lite v0.1.0
[M+H]+165.08095
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.7655898
predicted
DarkChem Lite v0.1.0
[M+Na]+171.6266
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:01 / Updated at February 21, 2021 18:54