Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05WJQ
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| Former ID |
DCL000220
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| Drug Name |
Saredutant
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| Synonyms |
SR-48968; 142001-63-6; SR 48968; SR48968; UNII-720U2QK8I5; (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide; CHEMBL308148; SR48968C; 720U2QK8I5; N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide; N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide; [3H]saredutant; SR 48968C; Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-; SR 48965; SR-48965; SR-489686; SR-48968C
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| Drug Type |
Small molecular drug
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| Indication | Anxiety disorder [ICD-11: 6B00-6B0Z] | Discontinued in Phase 3 | [1], [2] | |
| Depression [ICD-11: 6A70-6A7Z] | Discontinued in Phase 3 | [1], [2] | ||
| Company |
Sanofi-aventis
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| Structure |
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Download2D MOL |
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| Formula |
C31H35Cl2N3O2
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| Canonical SMILES |
CC(=O)NC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4
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| 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
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| InChIKey |
PGKXDIMONUAMFR-AREMUKBSSA-N
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| CAS Number |
CAS 142001-63-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-K receptor (TACR2) | Target Info | Antagonist | [3], [4], [5], [6] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 2 | Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92. | |||
| REF 3 | Characterization of species-related differences in the pharmacology of tachykinin NK receptors 1, 2 and 3. Biochem Pharmacol. 2009 May 1;77(9):1522-30. | |||
| REF 4 | Multifaceted approach to determine the antagonist molecular mechanism and interaction of ibodutant ([1-(2-phenyl-1R-[[1-(tetrahydropyran-4-ylmethyl... J Pharmacol Exp Ther. 2009 May;329(2):486-95. | |||
| REF 5 | Occurrence and pharmacological characterization of four human tachykinin NK2 receptor variants. Biochem Pharmacol. 2008 Aug 15;76(4):476-81. | |||
| REF 6 | Expression of rat NK-2 (neurokinin A) receptor in E. coli. Receptors Channels. 1994;2(4):295-302. | |||
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