Miridesap
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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
- Miridesap
- DrugBank Accession Number
- DB13087
- Background
Miridesap has been used in trials studying the prevention of HIV and treatment of AL amyloidosis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 340.376
Monoisotopic: 340.163436501 - Chemical Formula
- C16H24N2O6
- Synonyms
- 1,1'-hexanedioyldi-D-proline
- CPHPC
- Miridesap
- External IDs
- RO 638695
- RO-638695
- RO638695
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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids
- Alternative Parents
- Proline and derivatives / Pyrrolidine carboxylic acids / N-acylpyrrolidines / Dicarboxylic acids and derivatives / Tertiary carboxylic acid amides / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides show 2 more
- Substituents
- Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid / Dicarboxylic acid or derivatives / Hydrocarbon derivative / N-acyl-alpha-amino acid / N-acylpyrrolidine / Organic nitrogen compound show 11 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WO97N24A47
- CAS number
- 224624-80-0
- InChI Key
- HZLAWYIBLZNRFZ-VXGBXAGGSA-N
- InChI
- InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1
- IUPAC Name
- (2R)-1-{6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl}pyrrolidine-2-carboxylic acid
- SMILES
- OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 125516
- PubChem Substance
- 347829211
- ChemSpider
- 111662
- ChEMBL
- CHEMBL25263
- ZINC
- ZINC000003972138
- PDBe Ligand
- GHE
- PDB Entries
- 4avt / 4avv
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Amyloidosis 1 1 Terminated Diagnostic Amyloidosis 1 1, 2 Completed Prevention Human Immunodeficiency Virus (HIV) Infections 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 9.95 mg/mL ALOGPS logP -0.06 ALOGPS logP -0.037 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 3.5 Chemaxon pKa (Strongest Basic) -0.77 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 115.22 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 82.71 m3·mol-1 Chemaxon Polarizability 34.82 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-002g-8690000000-77d30d02d7e521d524b1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00kf-0479000000-3b0c8ffbb5eaeca37dbf Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-9c58837b028de744ccc8 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-2394000000-59f1ae63895cedaf8ef3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01p2-4974000000-894846d60ffc041a6c26 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ul1-9581000000-ad94f92ff105d9d3c25d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-9831000000-6b4cde56246cf09118b6 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 192.8178146 predictedDarkChem Lite v0.1.0 [M-H]- 172.38568 predictedDeepCCS 1.0 (2019) [M+H]+ 195.6337146 predictedDarkChem Lite v0.1.0 [M+H]+ 174.74367 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.8110146 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.23178 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:53 / Updated at September 28, 2023 05:40