Epelsiban
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Epelsiban
- DrugBank Accession Number
- DB11934
- Background
Epelsiban has been investigated for the treatment of Premature Ejaculation.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 518.658
Monoisotopic: 518.28930572 - Chemical Formula
- C30H38N4O4
- Synonyms
- Epelsiban
- External IDs
- GSK-557296
- GSK557296
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
- 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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Dipeptides
- Alternative Parents
- Alpha amino acids and derivatives / N-piperazineacetamides / Indanes / 2,5-dioxopiperazines / N-alkylpiperazines / Methylpyridines / Morpholines / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides show 8 more
- Substituents
- 1,4-diazinane / 2,5-dioxopiperazine / Alpha-amino acid or derivatives / Alpha-dipeptide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Dialkyl ether show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T2EZ19HX73
- CAS number
- 872599-83-2
- InChI Key
- UWHCWRQFNKUYCG-QUZACWSFSA-N
- InChI
- InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1
- IUPAC Name
- (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin-4-yl)-2-oxoethyl]piperazine-2,5-dione
- SMILES
- CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)C2=CC=C(C)N=C2C)C(=O)[C@H](NC1=O)C1CC2=CC=CC=C2C1
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Premature Ejaculation 1 2 Withdrawn Treatment Endometriosis of Uterus 1 1 Completed Treatment Embryo Transfer 3 1 Completed Treatment Obstetric Labour, Premature / Premature Ejaculation 1 1 Terminated Treatment Embryo Transfer 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 Water Solubility 0.0985 mg/mL ALOGPS logP 2.93 ALOGPS logP 2.44 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 11.19 Chemaxon pKa (Strongest Basic) 6.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 91.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 143.58 m3·mol-1 Chemaxon Polarizability 56.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 219.16927 predictedDeepCCS 1.0 (2019) [M+H]+ 221.06468 predictedDeepCCS 1.0 (2019) [M+Na]+ 226.86317 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:02 / Updated at February 21, 2021 18:53