Drug General Information
Drug ID
DXX5I7
Drug Name
(S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-trifluoromethyl-benzo[b]thiophen-2-yl)-piperidin-1-yl]-propan-2-ol
Synonyms
CHEMBL80777
Indication Discovery agent Investigative [1587926]
Formula
C26H27F3N2O2S
Canonical SMILES
C[C@H]1C[C@@H](CCN1C[C@H](O)COc2cccc3[nH]ccc23)c4cc5c(cccc5s4)C(F)(F)F
InChI
InChI=1S/C26H27F3N2O2S/c1-16-12-17(25-13-20-21(26(27,28)29)4-2-7-24(20)34-25)9-11-31(16)14-18(32)15-33-23-6-3-5-22-19(23)8-10-30-22/h2-8,10,13,16-18,30,32H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
InChIKey
IXVXZUNOBJNUJF-KSZLIROESA-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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