Spiradoline

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

Identification

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Name
Spiradoline
Accession Number
DB12704
Type
Small Molecule
Groups
Investigational
Description

Spiradoline has been investigated for the basic science of Bipolar Depression.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
N18ZH0M4NP
CAS number
87151-85-7
Weight
Average: 425.39
Monoisotopic: 424.1684336
Chemical Formula
C22H30Cl2N2O2
InChI Key
NYKCGQQJNVPOLU-ONTIZHBOSA-N
InChI
InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
IUPAC Name
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILES
[H][C@@]1(CC[C@@]2(CCCO2)C[C@]1([H])N1CCCC1)N(C)C(=O)CC1=CC(Cl)=C(Cl)C=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbacavirSpiradoline may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy.
AcarboseSpiradoline may increase the excretion rate of Acarbose which could result in a lower serum level and potentially a reduction in efficacy.
AcebutololAcebutolol may increase the arrhythmogenic activities of Spiradoline.
AceclofenacSpiradoline may increase the excretion rate of Aceclofenac which could result in a lower serum level and potentially a reduction in efficacy.
AcemetacinThe therapeutic efficacy of Spiradoline can be decreased when used in combination with Acemetacin.
AcetaminophenSpiradoline may increase the excretion rate of Acetaminophen which could result in a lower serum level and potentially a reduction in efficacy.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Spiradoline.
AcetyldigoxinSpiradoline may increase the arrhythmogenic activities of Acetyldigoxin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Spiradoline which could result in a higher serum level.
AclidiniumSpiradoline may increase the excretion rate of Aclidinium which could result in a lower serum level and potentially a reduction in efficacy.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
55652
PubChem Substance
347828902
ChemSpider
50257
BindingDB
83436
ChEMBL
CHEMBL70586
Wikipedia
Spiradoline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceDepression, Bipolar1

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 Solubility0.0147 mg/mLALOGPS
logP4.27ALOGPS
logP3.81ChemAxon
logS-4.5ALOGPS
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area32.78 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity114.04 m3·mol-1ChemAxon
Polarizability45 Å3ChemAxon
Number of Rings4ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylacetamides
Direct Parent
Phenylacetamides
Alternative Parents
Dichlorobenzenes / N-alkylpyrrolidines / Aryl chlorides / Tetrahydrofurans / Tertiary carboxylic acid amides / Trialkylamines / Amino acids and derivatives / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds
show 5 more
Substituents
Phenylacetamide / 1,2-dichlorobenzene / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / N-alkylpyrrolidine / Pyrrolidine / Tetrahydrofuran / Tertiary carboxylic acid amide
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:41 / Updated on June 04, 2019 07:41