NAV

Miridesap

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
3D
Similar Structures
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
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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
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
PubChem Compound
125516
PubChem Substance
347829211
ChemSpider
111662
ChEMBL
CHEMBL25263
ZINC
ZINC000003972138
PDBe Ligand
GHE
PDB Entries
4avt / 4avv

Clinical Trials

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

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-MSsplash10-002g-8690000000-77d30d02d7e521d524b1
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-0479000000-3b0c8ffbb5eaeca37dbf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-9c58837b028de744ccc8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-2394000000-59f1ae63895cedaf8ef3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p2-4974000000-894846d60ffc041a6c26
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ul1-9581000000-ad94f92ff105d9d3c25d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-9831000000-6b4cde56246cf09118b6
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.8178146
predicted
DarkChem Lite v0.1.0
[M-H]-172.38568
predicted
DeepCCS 1.0 (2019)
[M+H]+195.6337146
predicted
DarkChem Lite v0.1.0
[M+H]+174.74367
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.8110146
predicted
DarkChem Lite v0.1.0
[M+Na]+181.23178
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:53 / Updated at September 28, 2023 05:40