Rapastinel

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

Identification

Name
Rapastinel
Accession Number
DB11801
Type
Small Molecule
Groups
Investigational
Description

Rapastinel has been used in trials studying the treatment of Depressive Disorder, Major and Obsessive-Compulsive Disorder (OCD).

Structure
Thumb
Synonyms
Not Available
External IDs
GLYX-13
Categories
UNII
6A1X56B95E
CAS number
117928-94-6
Weight
Average: 413.475
Monoisotopic: 413.227433738
Chemical Formula
C18H31N5O6
InChI Key
GIBQQARAXHVEGD-BSOLPCOYSA-N
InChI
InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11+,12+,13+,14+/m1/s1
IUPAC Name
(2S,3R)-2-{[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamide
SMILES
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=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
14539800
PubChem Substance
347828150
ChemSpider
25069944
ChEMBL
CHEMBL3544917
ZINC
ZINC000071773625
Wikipedia
Rapastinel

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherDriving Performance1
1CompletedOtherHuman Abuse Potential1
1CompletedTreatmentHealthy Volunteers1
2CompletedTreatmentLearning and Memory in Healthy Individuals and Those With Psychiatric Illness1
2CompletedTreatmentMajor Depressive Disorder (MDD)2
2CompletedTreatmentObsessive Compulsive Disorder (OCD)1
2TerminatedTreatmentMajor Depressive Disorder (MDD)2
3CompletedTreatmentMajor Depressive Disorder (MDD)5
3TerminatedTreatmentMajor Depressive Disorder (MDD)4
3WithdrawnTreatmentMajor Depressive Disorder (MDD)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
PropertyValueSource
Water Solubility37.4 mg/mLALOGPS
logP-1.7ALOGPS
logP-3.7ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)11.92ChemAxon
pKa (Strongest Basic)7.61ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area179.29 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity101.51 m3·mol-1ChemAxon
Polarizability41.09 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Proline and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Pyrrolidinecarboxamides / N-acylpyrrolidines / Fatty amides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Secondary alcohols / Primary carboxylic acid amides
show 5 more
Substituents
Alpha-oligopeptide / Proline or derivatives / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives / N-acylpyrrolidine / Pyrrolidine carboxylic acid or derivatives / Pyrrolidine-2-carboxamide / Fatty amide
show 22 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:49 / Updated on March 01, 2020 21:00

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