Drug Information

Drug General Information
Drug ID
DX2SQG
Drug Name
(5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2-(4-(methylthio)phenoxy)phenyl)-N-methylmethanamine
Synonyms
CHEMBL398981
Indication Discovery agent Investigative [1587926]
Formula
C27H37N3OS
Canonical SMILES
CNCc1cc(ccc1Oc2ccc(SC)cc2)C#CCCN3CCCN(CC3)C(C)C
InChI
InChI=1S/C27H37N3OS/c1-22(2)30-17-7-16-29(18-19-30)15-6-5-8-23-9-14-27(24(20-23)21-28-3)31-25-10-12-26(32-4)13-11-25/h9-14,20,22,28H,6-7,15-19,21H2,1-4H3
InChIKey
MKSDMOQTAOJLSE-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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