NAV

Ecraprost

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

Identification

Generic Name
Ecraprost
DrugBank Accession Number
DB16148
Background

Ecraprost is under investigation in clinical trial NCT00059657 (Efficacy/safety of Ecraprost in Lipid Emulsion for Treatment of Critical Leg Ischemia Due to Peripheral Arterial Disease).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 480.686
Monoisotopic: 480.345089266
Chemical Formula
C28H48O6
Synonyms
  • Circulase
  • Ecraprost
External IDs
  • AS-013
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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

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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q2XM6VR8DO
CAS number
136892-64-3
InChI Key
HITYEEHTEOQBAC-OSIGYOHNSA-N
InChI
InChI=1S/C28H48O6/c1-4-7-11-15-22(29)18-19-23-24(26(21-25(23)30)34-28(32)14-6-3)16-12-9-10-13-17-27(31)33-20-8-5-2/h18-19,22-23,25,29-30H,4-17,20-21H2,1-3H3/b19-18+/t22-,23+,25+/m0/s1
IUPAC Name
butyl 7-[(4R,5R)-2-(butanoyloxy)-4-hydroxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopent-1-en-1-yl]heptanoate
SMILES
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(OC(=O)CCC)=C1CCCCCCC(=O)OCCCC

References

General References
Not Available
ChemSpider
4945759
ChEMBL
CHEMBL2104574
ZINC
ZINC000003780931

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentPeripheral Vascular Disease Patient1
3TerminatedTreatmentPeripheral Vascular Disease Patient1

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 Solubility0.00266 mg/mLALOGPS
logP5.76ALOGPS
logP5.58Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)14.68Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area93.06 Å2Chemaxon
Rotatable Bond Count21Chemaxon
Refractivity137.68 m3·mol-1Chemaxon
Polarizability58.55 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0a6s-1109600000-2afabb144ff24ad4898b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-2009300000-342b550d021cb00794e3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-5208900000-10f2b133756c1bf40629
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-5009400000-a92cadc4d6a76a30e384
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-4005900000-adc202b0fc60925c7292
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9501100000-e45996e47712f06ef3c6
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55