Drug Information

Drug General Information
Drug ID
D0H3NA
Former ID
DNC003682
Drug Name
4-Benzo[b]thiophen-4-yl-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525720]
Structure
Download
2D MOL

3D MOL
Formula
C11H8N2S
Canonical SMILES
C1=CC(=C2C=CSC2=C1)C3=CN=CN3
InChI
1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
InChIKey
QRRRICPYXPJYEH-UHFFFAOYSA-N
PubChem Compound ID
10176567
Target and Pathway
Target(s) Alpha-2B adrenergic receptor Target Info Inhibitor [525720]
Alpha-1A adrenergic receptor Target Info Inhibitor [525720]
Alpha-1D adrenergic receptor Target Info Inhibitor [525720]
Alpha-1B adrenergic receptor Target Info Inhibitor [525720]
Alpha-2A adrenergic receptor Target Info Inhibitor [525740]
KEGG Pathway cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
AMPK signaling pathway
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretionhsa04020:Calcium signaling pathway
Salivary secretionhsa04022:cGMP-PKG signaling pathway
NetPath Pathway IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP00002:Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathway
Pathway Interaction Database LPA receptor mediated events
Reactome Adrenoceptors
Adrenaline signalling through Alpha-2 adrenergic receptor
G alpha (i) signalling events
G alpha (z) signalling eventsR-HSA-390696:Adrenoceptors
G alpha (q) signalling events
G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
Adrenaline,noradrenaline inhibits insulin secretion
G alpha (z) signalling events
Surfactant metabolism
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Platelet Aggregation (Plug Formation)
GPCR ligand binding
GPCR downstream signalingWP58:Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Gastrin-CREB signalling pathway via PKC and MAPK
Endothelin Pathways
GPCR downstream signaling
AMPK SignalingWP58:Monoamine GPCRs
GPCRs, OtherWP58:Monoamine GPCRs
Vitamin D Receptor Pathway
Integration of energy metabolism
References
Ref 525720J Med Chem. 2000 Mar 9;43(5):765-8.alpha(2) Adrenoceptor agonists as potential analgesic agents. 2. Discovery of 4-(4-Imidazo)-1,3-dimethyl-6,7-dihydrothianaphthene [corrected] as a high-affinity ligand for the alpha(2D) adrenergic receptor.
Ref 525720J Med Chem. 2000 Mar 9;43(5):765-8.alpha(2) Adrenoceptor agonists as potential analgesic agents. 2. Discovery of 4-(4-Imidazo)-1,3-dimethyl-6,7-dihydrothianaphthene [corrected] as a high-affinity ligand for the alpha(2D) adrenergic receptor.
Ref 525740J Med Chem. 2000 Apr 6;43(7):1423-6.Alpha(2) adrenoceptor agonists as potential analgesic agents. 2. Discovery of 4-(4-imidazo)-1,3-dimethyl-6,7-dihydro-thianaphthene as a high-affinity ligand for the alpha(2D) adrenergic receptor.

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