Drug Information

Drug General Information
Drug ID
D05RKS
Former ID
DNC010217
Drug Name
N-methyl-4,4-diphenylbutan-1-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530331]
Structure
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2D MOL

3D MOL
Formula
C17H21N
Canonical SMILES
CNCCCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
1S/C17H21N/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3
InChIKey
GRKYNTKPAFRLLZ-UHFFFAOYSA-N
PubChem Compound ID
20293994
Target and Pathway
Target(s) Histamine H1 receptor Target Info Inhibitor [530331]
5-hydroxytryptamine 2A receptor Target Info Inhibitor [530331]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channelshsa04020:Calcium signaling pathway
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channels
PANTHER Pathway Histamine H1 receptor mediated signaling pathwayP04374:5HT2 type receptor mediated signaling pathway
Reactome Histamine receptors
G alpha (q) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (q) signalling events
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP733:Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
SIDS Susceptibility Pathways
GPCR downstream signaling
GPCRs, Other
References
Ref 530331Bioorg Med Chem. 2009 Sep 15;17(18):6496-504. Epub 2009 Aug 13.Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity.
Ref 530331Bioorg Med Chem. 2009 Sep 15;17(18):6496-504. Epub 2009 Aug 13.Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity.

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