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
Structure for Saredutant (DB06660)
- 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.
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Saredutant works by blocking the effects of Neurokinin A at the NK-2 receptor.
Target Actions Organism USubstance-K receptor Not Available Humans - 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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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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Saredutant is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Saredutant is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Saredutant. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Saredutant. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Saredutant. - Food Interactions
- Not Available
Products
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Ingredient UNII CAS InChI Key Saredutant succinate 6FE8PG636R 176381-98-9 Not applicable
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
- External Links
- ChemSpider
- 94726
- BindingDB
- 50071484
- ChEMBL
- CHEMBL308148
- ZINC
- ZINC000003927605
- Wikipedia
- Saredutant
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Anxiety 1 3 Completed Treatment Depressive Disorder 8 3 Completed Treatment Generalized Anxiety 2 3 Completed Treatment Major 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
Property Value Source Water Solubility 0.000115 mg/mL ALOGPS logP 5.81 ALOGPS logP 5.25 Chemaxon logS -6.7 ALOGPS pKa (Strongest Acidic) 13.69 Chemaxon pKa (Strongest Basic) 9.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 52.65 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 155.96 m3·mol-1 Chemaxon Polarizability 58.3 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 218.19353 predictedDeepCCS 1.0 (2019) [M+H]+ 220.58908 predictedDeepCCS 1.0 (2019) [M+Na]+ 226.50171 predictedDeepCCS 1.0 (2019)
Targets
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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
- 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]
- 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 at March 19, 2008 16:46 / Updated at December 12, 2023 05:11