Drug Information

Drug General Information
Drug ID
D05EDR
Former ID
DNC006640
Drug Name
Beta-methylmelatonin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528234]
Structure
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2D MOL

3D MOL
Formula
C14H18N2O2
Canonical SMILES
CC(CNC(=O)C)C1=CNC2=C1C=C(C=C2)OC
InChI
1S/C14H18N2O2/c1-9(7-15-10(2)17)13-8-16-14-5-4-11(18-3)6-12(13)14/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)
InChIKey
CKJPQNIMWAHOBV-UHFFFAOYSA-N
PubChem Compound ID
11630146
Target and Pathway
Target(s) Melatonin receptor Target Info Inhibitor [528234]
Melatonin receptor type 1B Target Info Inhibitor [528234]
KEGG Pathway Neuroactive ligand-receptor interaction
Circadian entrainmenthsa04080:Neuroactive ligand-receptor interaction
Circadian entrainment
Reactome Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling eventsR-HSA-373076:Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 528234J Med Chem. 2006 Jun 15;49(12):3509-19.Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-methoxy-1-methyltryptamines.
Ref 528234J Med Chem. 2006 Jun 15;49(12):3509-19.Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-methoxy-1-methyltryptamines.

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