Drug Information

Drug General Information
Drug ID
D0Q6HT
Former ID
DNC006639
Drug Name
Beta,beta-dimethylmelatonin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528234]
Structure
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2D MOL

3D MOL
Formula
C15H20N2O2
Canonical SMILES
CC(=O)NCC(C)(C)C1=CNC2=C1C=C(C=C2)OC
InChI
1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKey
OMYMGFDKAPBSGB-UHFFFAOYSA-N
PubChem Compound ID
11536239
Target and Pathway
Target(s) Melatonin receptor type 1B Target Info Inhibitor [528234]
Melatonin receptor 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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