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CP-866087

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

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Data Packages
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Identification

Generic Name
CP-866087
DrugBank Accession Number
DB12196
Background

CP-866,087 has been used in trials studying the treatment of Obesity, Alcoholism, and Sexual Dysfunction, Physiological.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 426.58
Monoisotopic: 426.197714008
Chemical Formula
C24H30N2O3S
Synonyms
Not Available
External IDs
  • CP-866,087
  • CP-866087
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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
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
CP-866087 MesylateC11T0WZN2R519052-03-0JGFCIQDZOHYVLW-WNYOANAGSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Phenylpiperidines
Direct Parent
Phenylpiperidines
Alternative Parents
Sulfanilides / Indanes / Aralkylamines / Organosulfonamides / Organic sulfonamides / N-alkylpyrrolidines / Tertiary alcohols / Aminosulfonyl compounds / Trialkylamines / 1,2-aminoalcohols
show 3 more
Substituents
1,2-aminoalcohol / Alcohol / Amine / Aminosulfonyl compound / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Hydrocarbon derivative / Indane
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
MDH21334PI
CAS number
519052-02-9
InChI Key
ZBVPUFSKFGYNLC-FIDNPTQWSA-N
InChI
InChI=1S/C24H30N2O3S/c1-3-24(19-9-6-10-20(11-19)25-30(2,28)29)21-14-26(15-22(21)24)16-23(27)12-17-7-4-5-8-18(17)13-23/h4-11,21-22,25,27H,3,12-16H2,1-2H3/t21-,22+,24+
IUPAC Name
N-{3-[(1R,5S,6R)-6-ethyl-3-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl}methanesulfonamide
SMILES
CC[C@]1([C@H]2CN(CC3(O)CC4=CC=CC=C4C3)C[C@@H]12)C1=CC=CC(NS(C)(=O)=O)=C1

References

General References
Not Available
PubChem Compound
11154544
PubChem Substance
347828481
ChemSpider
32700406
ChEMBL
CHEMBL3219616
ZINC
ZINC000169323664

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedTreatmentAlcohol Dependency1somestatusstop reasonjust information to hide
2CompletedTreatmentObesity1somestatusstop reasonjust information to hide
2CompletedTreatmentSexual Dysfunctions, Physiological1somestatusstop reasonjust information to hide

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 Solubility0.00299 mg/mLALOGPS
logP3.1ALOGPS
logP1.63Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)9.73Chemaxon
pKa (Strongest Basic)10.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area69.64 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119 m3·mol-1Chemaxon
Polarizability47.98 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-004i-0000900000-fda49763b59380165594
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-28187c87ce3ed35a38f3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0215900000-3ab7f7fe364060cbf792
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0010900000-eecfc1c39d9ed78d39b8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002f-2595400000-17100aa3442ed667aae6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9404400000-52812d998a543e2bc0a3
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]-195.59203
predicted
DeepCCS 1.0 (2019)
[M+H]+197.98758
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.90013
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:35 / Updated at June 12, 2020 16:53