Drug Information

Drug General Information
Drug ID
D00IRU
Former ID
DCL000789
Drug Name
E-5842
Synonyms
E 5842; E5842; 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-(4-fluorophenil)-1,2,3,4-tetrahydro-1-(4-(1,2,4-triazol-1-il)butyl)pyridine citrate; 4-(4-fluorophenyl)-1-[4-(1,2,4-triazol-1-yl)butyl]-3,6-dihydro-2H-pyridine
Drug Type
Small molecular drug
Indication Schizophrenia [ICD9: 295; ICD10:F20] Terminated [536463]
Company
Esteve
Structure
Download
2D MOL

3D MOL
Formula
C23H29FN4O7
Canonical SMILES
C1CN(CC=C1C2=CC=C(C=C2)F)CCCCN3C=NC=N3.C(C(=O)O)C(CC(=O<br />)O)(C(=O)O)O
InChI
1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
LTBKOSQVBVYJKW-UHFFFAOYSA-N
CAS Number
CAS 177945-46-9
PubChem Compound ID
6918385
PubChem Substance ID
12015160, 14932977, 17194853, 43529755, 50533952, 99381469, 114787878, 134339272
Target and Pathway
Target(s) Sigma(1)-type opioid receptor Target Info Binder [536463]
WikiPathways miR-targeted genes in squamous cell - TarBase
miR-targeted genes in lymphocytes - TarBase
References
Ref 536463The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22. Epub 2007 Jul 31.
Ref 536463The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22. Epub 2007 Jul 31.

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