Drug General Information
Drug ID
D0I0SK
Former ID
DNC012948
Drug Name
4-(4-chlorobenzylthio)-2-aminobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527946]
Structure
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2D MOL

3D MOL

Formula
C11H14ClNO2S
Canonical SMILES
C1=CC(=CC=C1CSCCC(C(=O)O)N)Cl
InChI
1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
InChIKey
ALRMSMDJCRNGNM-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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