Drug General Information
Drug ID
DXI7BR
Drug Name
(S)-1-[(2S,4R)-4-(4,6-Dimethoxy-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-1H-indol-4-yloxy)-propan-2-ol
Synonyms
CHEMBL128866
Indication Discovery agent Investigative [1587926]
Formula
C28H34N2O4S
Canonical SMILES
COc1cc(OC)c2cc(sc2c1)[C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc45)[C@@H](C)C3
InChI
InChI=1S/C28H34N2O4S/c1-17-10-22-24(29-17)6-5-7-25(22)34-16-20(31)15-30-9-8-19(11-18(30)2)27-14-23-26(33-4)12-21(32-3)13-28(23)35-27/h5-7,10,12-14,18-20,29,31H,8-9,11,15-16H2,1-4H3/t18-,19+,20-/m0/s1
InChIKey
JLSJIJYQIHEWKC-ZCNNSNEGSA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.