Saredutant

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

Identification

Generic Name
Saredutant
DrugBank Accession Number
DB06660
Background

Saredutant (SR 48968) is a neurokinin-2 antagonist drug being developed as an antidepressant and anxiolytic by Sanofi-Aventis.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 552.54
Monoisotopic: 551.2106328
Chemical Formula
C31H35Cl2N3O2
Synonyms
  • Saredutant
External IDs
  • SR 48968
  • SR48968

Pharmacology

Indication

Investigated for use/treatment in depression and anxiety disorders.

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action

Saredutant works by blocking the effects of Neurokinin A at the NK-2 receptor.

TargetActionsOrganism
USubstance-K receptorNot AvailableHumans
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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Saredutant is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Saredutant is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Saredutant.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Saredutant.
AclidiniumSaredutant may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with Saredutant.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Saredutant.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Saredutant.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Saredutant.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Saredutant.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Phenylpiperidines
Direct Parent
Phenylpiperidines
Alternative Parents
Benzamides / Dichlorobenzenes / Benzoyl derivatives / Aralkylamines / Aryl chlorides / Tertiary carboxylic acid amides / Acetamides / Trialkylamines / Secondary carboxylic acid amides / Amino acids and derivatives
show 6 more
Substituents
1,2-dichlorobenzene / Acetamide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzamide
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
720U2QK8I5
CAS number
142001-63-6
InChI Key
PGKXDIMONUAMFR-AREMUKBSSA-N
InChI
InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
IUPAC Name
N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide
SMILES
CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1)C(=O)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
94726
BindingDB
50071484
ChEMBL
CHEMBL308148
ZINC
ZINC000003927605
Wikipedia
Saredutant

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAnxiety1
3CompletedTreatmentDepressive Disorders3
3CompletedTreatmentGeneralized Anxiety2
3CompletedTreatmentMajor Depressive Disorder (MDD)2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000115 mg/mLALOGPS
logP5.81ALOGPS
logP5.25ChemAxon
logS-6.7ALOGPS
pKa (Strongest Acidic)13.69ChemAxon
pKa (Strongest Basic)9.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area52.65 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity155.96 m3·mol-1ChemAxon
Polarizability58.3 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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

Targets

Drugtargets
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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Tachykinin receptor activity
Specific Function
This is a receptor for the tachykinin neuropeptide substance K (neurokinin A). It is associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order ...
Gene Name
TACR2
Uniprot ID
P21452
Uniprot Name
Substance-K receptor
Molecular Weight
44441.705 Da
References
  1. Ahlstedt I, Engberg S, Smith J, Perrey C, Moody A, Morten J, Lagerstrom-Fermer M, Drmota T, von Mentzer B, Pahlman I, Lindstrom E: Occurrence and pharmacological characterization of four human tachykinin NK2 receptor variants. Biochem Pharmacol. 2008 Aug 15;76(4):476-81. doi: 10.1016/j.bcp.2008.06.003. Epub 2008 Jun 13. [Article]
  2. Van Schoor J, Joos GF, Chasson BL, Brouard RJ, Pauwels RA: The effect of the NK2 tachykinin receptor antagonist SR 48968 (saredutant) on neurokinin A-induced bronchoconstriction in asthmatics. Eur Respir J. 1998 Jul;12(1):17-23. [Article]

Drug created on March 19, 2008 16:46 / Updated on February 21, 2021 18:52