Drug Information

Drug General Information
Drug ID
D0K5NZ
Former ID
DNC005817
Drug Name
MESULERGINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539310]
Structure
Download
2D MOL

3D MOL
Formula
C18H26N4O2S
InChI
InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
InChIKey
JLVHTNZNKOSCNB-YSVLISHTSA-N
PubChem Compound ID
68848
PubChem Substance ID
8192388, 14754853, 26756534, 43125362, 47957327, 48032592, 50048639, 57317105, 75357719, 85787468, 92308808, 92729791, 103934495, 104343219, 117631071, 124892408, 135028814, 135650580, 135928323, 137147715, 140438701, 142950047, 144205576, 160677128, 162222589, 162634974, 163425775, 170466174, 176484040, 198945608, 224639407, 226635052
Target and Pathway
Target(s) 5-hydroxytryptamine 7 receptor Target Info Inhibitor [530041]
5-hydroxy-tryptamine 3B receptor Target Info Inhibitor [534503]
Adenosine A3 receptor Target Info Inhibitor [527823]
5-hydroxytryptamine receptor 3A Target Info Inhibitor [534503]
KEGG Pathway Ras signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapsehsa04726:Serotonergic synapsehsa04726:Serotonergic synapse
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP04375:5HT3 type receptor mediated signaling pathwayP04375:5HT3 type receptor mediated signaling pathway
PathWhiz Pathway Excitatory Neural Signalling Through 5-HTR 7 and Serotonin
Reactome Serotonin receptors
G alpha (s) signalling eventsR-HSA-975298:Ligand-gated ion channel transportR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-975298:Ligand-gated ion channel transport
WikiPathways Serotonin Receptor 4/6/7 and NR3C Signaling
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP2670:Iron uptake and transportWP80:Nucleotide GPCRs
GPCRs, OtherWP706:SIDS Susceptibility Pathways
Iron uptake and transport
References
Ref 539310(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 206).
Ref 527823J Med Chem. 2005 Nov 3;48(22):6887-96.2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization.
Ref 530041J Med Chem. 2009 Apr 23;52(8):2384-92.Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity.
Ref 534503J Med Chem. 1997 Oct 24;40(22):3670-8.Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure.

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