Miridesap

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

Identification

Name
Miridesap
Accession Number
DB13087
Type
Small Molecule
Groups
Investigational
Description

Miridesap has been used in trials studying the prevention of HIV.

Structure
Thumb
Synonyms
  • 1,1'-hexanedioyldi-D-proline
  • CPHPC
External IDs
RO-638695
Categories
Not Available
UNII
WO97N24A47
CAS number
224624-80-0
Weight
Average: 340.376
Monoisotopic: 340.163436501
Chemical Formula
C16H24N2O6
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

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
PhaseStatusPurposeConditionsCount
1TerminatedDiagnosticAmyloidosis1
1, 2CompletedPreventionHuman Immunodeficiency Virus (HIV) Infections1
2TerminatedTreatmentAmyloidosis1

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 Solubility9.95 mg/mLALOGPS
logP-0.06ALOGPS
logP-0.037ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)-0.77ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area115.22 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity82.71 m3·mol-1ChemAxon
Polarizability34.82 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
N-acyl-alpha-amino acid / Proline or derivatives / N-acylpyrrolidine / Pyrrolidine carboxylic acid / Pyrrolidine carboxylic acid or derivatives / Dicarboxylic acid or derivatives / Tertiary carboxylic acid amide / Pyrrolidine / Carboxamide group / Azacycle
show 11 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:53 / Updated on June 12, 2020 10:53

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