Drug General Information
Drug ID
DXM0AC
Drug Name
(S)-1-[(2R,4S)-4-(4-Methoxy-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-benzofuran-4-yloxy)-propan-2-ol
Synonyms
CHEMBL338777
Indication Discovery agent Investigative [1587926]
Formula
C27H31NO4S
Canonical SMILES
COc1cccc2sc(cc12)[C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc45)[C@H](C)C3
InChI
InChI=1S/C27H31NO4S/c1-17-12-19(27-14-22-23(30-3)6-5-9-26(22)33-27)10-11-28(17)15-20(29)16-31-24-7-4-8-25-21(24)13-18(2)32-25/h4-9,13-14,17,19-20,29H,10-12,15-16H2,1-3H3/t17-,19+,20+/m1/s1
InChIKey
NNWMNOCTZDIGBT-HOJAQTOUSA-N
Target and Pathway
Target(s) 5-hydroxytryptamine 1A receptor Target Info [1587926]
Sodium-dependent serotonin transporter Target Info [1587926]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapsehsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathway
Reactome Serotonin receptors
G alpha (i) signalling events
WikiPathways Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP727:Monoamine Transport
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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