Pecilocin

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
Pecilocin
Accession Number
DB13459
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
TSA7W27MF8
CAS number
19504-77-9
Weight
Average: 291.391
Monoisotopic: 291.183443669
Chemical Formula
C17H25NO3
InChI Key
ZYPGADGCNXOUJP-CXVPHVKISA-N
InChI
InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1
IUPAC Name
1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
SMILES
CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O

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
(R)-warfarinThe therapeutic efficacy of (R)-warfarin can be increased when used in combination with Pecilocin.
(S)-WarfarinThe therapeutic efficacy of (S)-Warfarin can be increased when used in combination with Pecilocin.
4-hydroxycoumarinThe therapeutic efficacy of 4-hydroxycoumarin can be increased when used in combination with Pecilocin.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Pecilocin.
ClorindioneThe therapeutic efficacy of Clorindione can be increased when used in combination with Pecilocin.
CoumarinThe therapeutic efficacy of Coumarin can be increased when used in combination with Pecilocin.
DicoumarolThe therapeutic efficacy of Dicoumarol can be increased when used in combination with Pecilocin.
DiphenadioneThe therapeutic efficacy of Diphenadione can be increased when used in combination with Pecilocin.
Ethyl biscoumacetateThe therapeutic efficacy of Ethyl biscoumacetate can be increased when used in combination with Pecilocin.
FluindioneThe therapeutic efficacy of Fluindione can be increased when used in combination with Pecilocin.
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
KEGG Compound
C12905
ChemSpider
4445371
BindingDB
50448688
ChEBI
32289
ChEMBL
CHEMBL486174
Wikipedia
Pecilocin
ATC Codes
D01AA04 — Pecilocin

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.181 mg/mLALOGPS
logP2.82ALOGPS
logP2.4ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)18.09ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area57.61 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity86.98 m3·mol-1ChemAxon
Polarizability33.94 Å3ChemAxon
Number of Rings1ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolidines
Sub Class
N-acylpyrrolidines
Direct Parent
N-acylpyrrolidines
Alternative Parents
Pyrrolidine-2-ones / N-substituted carboxylic acid imides / Dicarboximides / Secondary alcohols / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
N-acylpyrrolidine / 2-pyrrolidone / Pyrrolidone / Carboxylic acid imide, n-substituted / Carboxylic acid imide / Dicarboximide / Lactam / Secondary alcohol / Carboxylic acid derivative / Azacycle
show 10 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
N-acylpyrrolidine (CHEBI:32289)

Drug created on June 23, 2017 14:42 / Updated on June 04, 2019 07:53