Drug Information

Drug General Information
Drug ID
D0S1XN
Former ID
DNC003539
Drug Name
4-(4-Benzyl-piperazin-1-yl)-7-bromo-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534802]
Structure
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2D MOL

3D MOL
Formula
C19H20BrN3
Canonical SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C4C=CNC4=C(C=C3)Br
InChI
1S/C19H20BrN3/c20-17-6-7-18(16-8-9-21-19(16)17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
InChIKey
RBUDKKJLRVBPDA-UHFFFAOYSA-N
PubChem Compound ID
44323962
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Inhibitor [534802]
D(4) dopamine receptor Target Info Inhibitor [534802]
D(3) dopamine receptor Target Info Inhibitor [534802]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
Dopaminergic synapsehsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Dopamine receptor mediated signaling pathway
Nicotine pharmacodynamics pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Nicotine pharmacodynamics pathway
Reactome Dopamine receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling events
WikiPathways Hypothetical Network for Drug Addiction
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Genes and (Common) Pathways Underlying Drug Addiction
GPCR ligand binding
GPCR downstream signaling
Nicotine Activity on Dopaminergic NeuronsWP666:Hypothetical Network for Drug Addiction
Nicotine Activity on Dopaminergic Neurons
GPCRs, OtherWP58:Monoamine GPCRs
GPCRs, Other
References
Ref 534802Bioorg Med Chem Lett. 1998 Oct 6;8(19):2675-80.New generation dopaminergic agents. 5. Heterocyclic bioisosteres that exploit the 3-OH-N1-phenylpiperazine dopaminergic template.
Ref 534802Bioorg Med Chem Lett. 1998 Oct 6;8(19):2675-80.New generation dopaminergic agents. 5. Heterocyclic bioisosteres that exploit the 3-OH-N1-phenylpiperazine dopaminergic template.

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