Drug General Information
Drug ID
D09CKV
Former ID
DNC012938
Drug Name
4-(3,4-dimethylbenzylthio)-2-aminobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527946]
Structure
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2D MOL

3D MOL

Formula
C13H19NO2S
Canonical SMILES
CC1=C(C=C(C=C1)CSCCC(C(=O)O)N)C
InChI
1S/C13H19NO2S/c1-9-3-4-11(7-10(9)2)8-17-6-5-12(14)13(15)16/h3-4,7,12H,5-6,8,14H2,1-2H3,(H,15,16)
InChIKey
HMCZVDYIAXLHNI-UHFFFAOYSA-N
PubChem Compound ID
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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