Drug Information

Drug General Information
Drug ID
D05WJQ
Former ID
DCL000220
Drug Name
Saredutant
Synonyms
SR 48965; SR 48968; SR 48968C; SR48968; SR48968C; SR-48965; SR-48968; SR-489686; SR-48968C; N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide; N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide; (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide
Drug Type
Small molecular drug
Indication Depression; Anxiety [ICD9: 300, 311; ICD10:F30-F39, F40-F42] Discontinued in Phase 3 [536580], [539338]
Company
Sanofi-aventis
Structure
Download
2D MOL

3D MOL
Formula
C31H35Cl2N3O2
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
InChIKey
PGKXDIMONUAMFR-AREMUKBSSA-N
CAS Number
CAS 142001-63-6
PubChem Compound ID
104974
PubChem Substance ID
7980661, 10233704, 12014694, 14788251, 14886062, 44434529, 47954445, 47954446, 49875160, 50235755, 53790011, 57337945, 103270540, 103965218, 104373343, 126666951, 128912454, 134338882, 135062208, 135650980, 137022798, 142475416, 162223678, 178100472, 179149913, 198987047, 223659078, 226545942
Target and Pathway
Target(s) NK-2 receptor Target Info Antagonist [536765], [537079], [537293]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 536580Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92. Epub 2008 Jan 2.
Ref 539338(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2111).
Ref 536765Occurrence and pharmacological characterization of four human tachykinin NK2 receptor variants. Biochem Pharmacol. 2008 Aug 15;76(4):476-81. Epub 2008 Jun 13.
Ref 537079Multifaceted approach to determine the antagonist molecular mechanism and interaction of ibodutant ([1-(2-phenyl-1R-[[1-(tetrahydropyran-4-ylmethyl)-piperidin-4-ylmethyl]-carbamoyl]-ethylcarbamoyl)-cyclopentyl]-amide) at the human tachykinin NK2 receptor. J Pharmacol Exp Ther. 2009 May;329(2):486-95. Epub 2009 Feb 13.
Ref 537293Characterization of species-related differences in the pharmacology of tachykinin NK receptors 1, 2 and 3. Biochem Pharmacol. 2009 May 1;77(9):1522-30. Epub 2009 Feb 6.

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