Drug Information

Drug General Information
Drug ID
DXX4VZ
Drug Name
4-(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)benzonitrile
Synonyms
CHEMBL395022
Indication Discovery agent Investigative [1587926]
Formula
C31H36N4O2
Canonical SMILES
COc1ccc(cc1)C2CN(C)Cc3cc(OCCCN4CCN(CC4)c5ccc(cc5)C#N)ccc23
InChI
InChI=1S/C31H36N4O2/c1-33-22-26-20-29(12-13-30(26)31(23-33)25-6-10-28(36-2)11-7-25)37-19-3-14-34-15-17-35(18-16-34)27-8-4-24(21-32)5-9-27/h4-13,20,31H,3,14-19,22-23H2,1-2H3
InChIKey
LTHPEUUEWQVVRQ-UHFFFAOYSA-N
Target and Pathway
Target(s) Histamine H3 receptor Target Info [1587926]
Sodium-dependent serotonin transporter Target Info [1587926]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway 5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathway
Reactome Histamine receptors
G alpha (i) signalling events
WikiPathways Monoamine Transport
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP727:Monoamine Transport
SIDS Susceptibility Pathways
NRF2 pathway
Synaptic Vesicle Pathway
Serotonin Transporter Activity
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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