Enprostil

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

Identification

Generic Name
Enprostil
DrugBank Accession Number
DB13824
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 400.471
Monoisotopic: 400.188588622
Chemical Formula
C23H28O6
Synonyms
  • Enprostil

Pharmacology

Indication

Not Available

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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.
DrugInteraction
AceclofenacThe therapeutic efficacy of Enprostil can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Enprostil can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidThe therapeutic efficacy of Enprostil can be decreased when used in combination with Acetylsalicylic acid.
AlclofenacThe therapeutic efficacy of Enprostil can be decreased when used in combination with Alclofenac.
AminophenazoneThe therapeutic efficacy of Enprostil can be decreased when used in combination with Aminophenazone.
Food Interactions
Not Available

Categories

ATC Codes
A02BB02 — Enprostil
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Fatty acid methyl esters / Alkyl aryl ethers / Cyclopentanols / Methyl esters / Cyclic ketones / Cyclic alcohols and derivatives / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
Alcohol / Alkyl aryl ether / Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclic alcohol / Cyclic ketone / Cyclopentanol / Ether
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J4IP5Z9DAU
CAS number
73121-56-9
InChI Key
PTOJVMZPWPAXER-FPXSIRDUSA-N
InChI
InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,22-/m0/s1
IUPAC Name
methyl 7-[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxybut-1-en-1-yl]-5-oxocyclopentyl]hepta-4,5-dienoate
SMILES
COC(=O)CCC=C=CC[C@H]1[C@H](\C=C\[C@H](O)COC2=CC=CC=C2)[C@@H](O)CC1=O

References

General References
Not Available
ChemSpider
8153928
ChEBI
31538
Wikipedia
Enprostil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0149 mg/mLALOGPS
logP2.58ALOGPS
logP2.59Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)13.99Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area93.06 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity111.36 m3·mol-1Chemaxon
Polarizability43.51 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-014r-0079000000-ace76575ebf8139e2063
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-1059000000-e39ed932d9e00dd01968
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fsr-0079000000-077b05ed38d13e0edd5f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000y-8098000000-de3197fa2144e8d2b74c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9151000000-19cfdcaf4ba0a41c299d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-2920000000-f770d2db3f8dac0d9b4d
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]-197.06956
predicted
DeepCCS 1.0 (2019)
[M+H]+199.46513
predicted
DeepCCS 1.0 (2019)
[M+Na]+205.37766
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54