Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q6HT
|
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| Former ID |
DNC006639
|
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| Drug Name |
Beta,beta-dimethylmelatonin
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H20N2O2
|
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| Canonical SMILES |
CC(=O)NCC(C)(C)C1=CNC2=C1C=C(C=C2)OC
|
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| 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)
|
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| InChIKey |
OMYMGFDKAPBSGB-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melatonin receptor type 1B | Target Info | Inhibitor | [1] | |
| Melatonin receptor | Target Info | Inhibitor | [1] | ||
| 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 1 | J 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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