Drug Information

Drug General Information
Drug ID
D0YG1E
Former ID
DNC011952
Drug Name
Etisulergine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533501]
Structure
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2D MOL

3D MOL
Formula
C19H28N4O2S
Canonical SMILES
CCN(CC)S(=O)(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1
InChIKey
YHEIHLVIKSTGJE-YXJHDRRASA-N
PubChem Compound ID
68847
Target and Pathway
Target(s) 5-hydroxytryptamine 1A receptor Target Info Inhibitor [533501]
5-hydroxytryptamine 2A receptor Target Info Inhibitor [533501]
5-hydroxytryptamine 1D receptor Target Info Inhibitor [533501]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapsehsa04020:Calcium signaling pathway
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa04024:cAMP signaling pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP04374:5HT2 type receptor mediated signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathway
Reactome Serotonin receptors
G alpha (i) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (q) signalling eventsR-HSA-390666: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 signalingWP733:Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
GPCRs, OtherWP722:Serotonin HTR1 Group and FOS Pathway
References
Ref 533501J Med Chem. 1985 Oct;28(10):1540-2.Resolution and absolute configuration of the potent dopamine agonist N,N-diethyl-N'-[(3 alpha, 4a alpha, 10a beta)-1,2,3,4,4a,5,10,10a- -octahydro-6-hydroxy-1-propyl-3-benzo[g]quinolinyl]sulfamide.
Ref 533501J Med Chem. 1985 Oct;28(10):1540-2.Resolution and absolute configuration of the potent dopamine agonist N,N-diethyl-N'-[(3 alpha, 4a alpha, 10a beta)-1,2,3,4,4a,5,10,10a- -octahydro-6-hydroxy-1-propyl-3-benzo[g]quinolinyl]sulfamide.

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