Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08VEJ
|
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| Former ID |
DNC004133
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| Drug Name |
IODOMELATONIN
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H15IN2O2
|
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| Canonical SMILES |
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
|
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| InChI |
1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
|
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| InChIKey |
FJDDSMSDZHURBJ-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melatonin receptor | Target Info | Inhibitor | [1] | |
| Melatonin receptor type 1B | Target Info | Inhibitor | [1] | ||
| NRH dehydrogenase [quinone] 2 | Target Info | Inhibitor | [2] | ||
| 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. 2002 Apr 25;45(9):1853-9.Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). | ||||
| REF 2 | J Med Chem. 2009 Apr 9;52(7):1873-84.Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. | ||||
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