Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09EQN
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| Former ID |
DNC012937
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| Drug Name |
4-(3,5-dimethylbenzylthio)-2-aminobutanoic acid
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| Synonyms |
CHEMBL380950; 4-(3,5-dimethylbenzylthio)-2-aminobutanoic acid; BDBM50179702
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C13H19NO2S
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| Canonical SMILES |
CC1=CC(=CC(=C1)CSCCC(C(=O)O)N)C
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| InChI |
1S/C13H19NO2S/c1-9-5-10(2)7-11(6-9)8-17-4-3-12(14)13(15)16/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16)
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| InChIKey |
XBQZUMGAFICQFC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1138-41. | |||
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