NAV

CP-39,332

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

Identification

Generic Name
CP-39,332
DrugBank Accession Number
DB09193
Background

CP-39,332 is a serotonin-norepinephrine reuptake inhibitor (SNRI). It is part of a group of monoamine reuptake inhibitor stereoisomers including tametraline (1R,4S-), CP-24,442 (1S,4R-), CP-22,185 (cis-), and CP-22,186 that show varying efficiency. However, none of the members of this stereoisomers has been marketed.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 237.346
Monoisotopic: 237.151749616
Chemical Formula
C17H19N
Synonyms
Not Available
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Tetralins
Sub Class
Not Available
Direct Parent
Tetralins
Alternative Parents
Aralkylamines / Benzene and substituted derivatives / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic homopolycyclic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Secondary aliphatic amine / Secondary amine
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R0YEK8P3H4
CAS number
61764-60-1
InChI Key
HLOCJJORRHQDKS-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3
IUPAC Name
N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILES
CNC1CC(C2=CC=CC=C2)C2=CC=CC=C2C1

References

General References
  1. Koe BK: Molecular geometry of inhibitors of the uptake of catecholamines and serotonin in synaptosomal preparations of rat brain. J Pharmacol Exp Ther. 1976 Dec;199(3):649-61. [Article]
PubChem Compound
15657209
PubChem Substance
310265101
ChemSpider
23189744
BindingDB
50422040
ChEMBL
CHEMBL104444
Wikipedia
CP-39,332

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000872 mg/mLALOGPS
logP3.98ALOGPS
logP3.79Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)10.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity76.29 m3·mol-1Chemaxon
Polarizability28.18 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-a9ee83970745adebd5e7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-ba2165e34c6e458b23fa
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-80ccccac1c43d5d1ef13
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0090000000-4411033507acb32544ea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1910000000-da3bdf75b8ba2b681130
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-4910000000-ce230e507ed9af0beb16
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]-167.8908479
predicted
DarkChem Lite v0.1.0
[M-H]-153.95111
predicted
DeepCCS 1.0 (2019)
[M+H]+167.9808479
predicted
DarkChem Lite v0.1.0
[M+H]+156.3091
predicted
DeepCCS 1.0 (2019)
[M+Na]+167.7911479
predicted
DarkChem Lite v0.1.0
[M+Na]+162.40225
predicted
DeepCCS 1.0 (2019)

Drug created at October 16, 2015 19:58 / Updated at June 12, 2020 16:52