Drug Information

Drug General Information
Drug ID
D0Z7GS
Former ID
DNC011271
Drug Name
6-Fluoromelatonin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531223]
Structure
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2D MOL

3D MOL
Formula
C13H15FN2O2
Canonical SMILES
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)F
InChI
1S/C13H15FN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKey
BTTITVUHHXXLFM-UHFFFAOYSA-N
PubChem Compound ID
43922
Target and Pathway
Target(s) 5-hydroxytryptamine 2B receptor Target Info Inhibitor [531223]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channels
PANTHER Pathway 5HT2 type receptor mediated signaling pathway
Reactome Serotonin receptors
G alpha (q) signalling events
WikiPathways Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 531223J Med Chem. 2010 Nov 11;53(21):7573-86.Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs.
Ref 531223J Med Chem. 2010 Nov 11;53(21):7573-86.Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs.

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