NAV

CP-866087

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

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
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 426.58
Monoisotopic: 426.197714008
Chemical Formula
C24H30N2O3S
Synonyms
Not Available
External IDs
  • CP-866,087
  • CP-866087

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

间隙

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Ingredient UNII CAS InChI Key
CP-866087 Mesylate C11T0WZN2R 519052-03-0 JGFCIQDZOHYVLW-WNYOANAGSA-N

Categories

Drug Categories
Chemical TaxonomyProvided byClassyfire
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
医学博士H21334PI
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

一般引用
Not Available
PubChem Compound
11154544
PubChem物质
347828481
ChemSpider
32700406
ChEMBL
CHEMBL3219616
ZINC
ZINC000169323664

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
2 Completed Treatment Alcohol Dependency 1
2 Completed Treatment Obesity 1
2 Completed Treatment Sexual Dysfunctions, Physiological 1

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
Property Value Source
Water Solubility 0.00299 mg/mL ALOGPS
logP 3.1 ALOGPS
logP 1.63 Chemaxon
logS -5.2 ALOGPS
pKa (Strongest Acidic) 9.73 Chemaxon
pKa (Strongest Basic) 10.4 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 69.64 Å2 Chemaxon
Rotatable Bond Count 5 Chemaxon
Refractivity 119 m3·mol-1 Chemaxon
Polarizability 47.98 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
医学博士DR-like Rule No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
光谱 光谱Type Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available

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