Drug General Information
Drug ID
DX0EH2
Drug Name
(S)-1-[(4S,6R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(1H-indol-4-yloxy)-propan-2-ol
Synonyms
CHEMBL79543
Indication Discovery agent Investigative [1587926]
Formula
C27H32N2O2S
Canonical SMILES
C[C@H]1C[C@@H](CCN1C[C@H](O)COc2cccc3[nH]ccc23)c4cc5c(C)cc(C)cc5s4
InChI
InChI=1S/C27H32N2O2S/c1-17-11-18(2)23-14-26(32-27(23)12-17)20-8-10-29(19(3)13-20)15-21(30)16-31-25-6-4-5-24-22(25)7-9-28-24/h4-7,9,11-12,14,19-21,28,30H,8,10,13,15-16H2,1-3H3/t19-,20+,21-/m0/s1
InChIKey
SXULKULQYARJNC-HBMCJLEFSA-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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