Drug Information

Drug General Information
Drug ID
D0C6FW
Former ID
DNC012941
Drug Name
4-(3-nitrobenzylthio)-2-aminobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527946]
Formula
C11H14N2O4S
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CSCCC(C(=O)O)N
InChI
1S/C11H14N2O4S/c12-10(11(14)15)4-5-18-7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)
InChIKey
OLFRZJABCSLPAK-UHFFFAOYSA-N
PubChem Compound ID
44408227
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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