Drug Information

Drug General Information
Drug ID
D0GU5E
Former ID
DNC012939
Drug Name
4-(3-cyanobenzylthio)-2-aminobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527946]
Structure
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2D MOL

3D MOL
Formula
C12H14N2O2S
Canonical SMILES
C1=CC(=CC(=C1)CSCCC(C(=O)O)N)C#N
InChI
1S/C12H14N2O2S/c13-7-9-2-1-3-10(6-9)8-17-5-4-11(14)12(15)16/h1-3,6,11H,4-5,8,14H2,(H,15,16)
InChIKey
HDBDOMDCBCMSJT-UHFFFAOYSA-N
PubChem Compound ID
44408229
Target and Pathway
Target(s) Voltage-dependent calcium channel subunit alpha-2/delta-1 Target Info Inhibitor [527946]
KEGG Pathway MAPK signaling pathway
Cardiac muscle contraction
Adrenergic signaling in cardiomyocytes
Oxytocin signaling pathway
Hypertrophic cardiomyopathy (HCM)
Arrhythmogenic right ventricular cardiomyopathy (ARVC)
Dilated cardiomyopathy
PANTHER Pathway Muscarinic acetylcholine receptor 2 and 4 signaling pathway
WikiPathways Arrhythmogenic Right Ventricular Cardiomyopathy
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
References
Ref 527946Bioorg Med Chem Lett. 2006 Mar 1;16(5):1138-41. Epub 2005 Dec 27.Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.
Ref 527946Bioorg Med Chem Lett. 2006 Mar 1;16(5):1138-41. Epub 2005 Dec 27.Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.

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