Drug General Information
Drug ID
DX8JKF
Drug Name
(S)-1-[(2S,4R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-1H-indol-4-yloxy)-propan-2-ol
Synonyms
CHEMBL129605
Indication Discovery agent Investigative [1587926]
Formula
C28H34N2O2S
Canonical SMILES
C[C@H]1C[C@@H](CCN1C[C@H](O)COc2cccc3[nH]c(C)cc23)c4cc5c(C)cc(C)cc5s4
InChI
InChI=1S/C28H34N2O2S/c1-17-10-18(2)23-14-27(33-28(23)11-17)21-8-9-30(20(4)13-21)15-22(31)16-32-26-7-5-6-25-24(26)12-19(3)29-25/h5-7,10-12,14,20-22,29,31H,8-9,13,15-16H2,1-4H3/t20-,21+,22-/m0/s1
InChIKey
QMPZARCIMMEYTD-BDTNDASRSA-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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