Esuberaprost
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Esuberaprost
- DrugBank Accession Number
- DB18464
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 398.499
Monoisotopic: 398.209324066 - Chemical Formula
- C24H30O5
- Synonyms
- (+)-4-((1r,2r,3as,8bs)-2-hydroxy-1-((1e,3s,4s)-3-hydroxy-4-methyl-oct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1h-cyclopenta(b)(1)benzofuran-5-yl)butanoic acid
- 1h-cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-((1e,3s,4s)-3-hydroxy-4-methyl-1-octen-6-ynyl)-, (1r,2r,3as,8bs)-
- Aps-314d free acid
- Beraprost, (+)-
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Esuberaprost Sodium 6C8TLD4Q9K 152695-53-9 Not applicable
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1JSN1I7582
- CAS number
- 94132-88-4
- InChI Key
- CTPOHARTNNSRSR-NOQAJONNSA-N
- InChI
- InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23+/m0/s1
- IUPAC Name
- 4-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-9-yl]butanoic acid
- SMILES
- [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C1=CC=CC(CCCC(O)=O)=C1O2
References
- General References
- Not Available
- External Links
- ChemSpider
- 8676454
- ChEMBL
- CHEMBL3137314
- ZINC
- ZINC000013671573
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Pulmonary Arterial Hypertension (PAH) 1 3 Terminated Treatment Pulmonary Arterial Hypertension (PAH) 1 3 Withdrawn Treatment Pulmonary Arterial Hypertension (PAH) 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 logP 3.6 Chemaxon pKa (Strongest Acidic) 4.2 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.99 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 112.72 m3·mol-1 Chemaxon Polarizability 44.71 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 26, 2023 21:20 / Updated at September 28, 2023 05:48