Drug Information

Drug General Information
Drug ID
D08VEJ
Former ID
DNC004133
Drug Name
IODOMELATONIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526317]
Structure
Download
2D MOL
Formula
C13H15IN2O2
Canonical SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
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)
InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N
PubChem Compound ID
115348
Target and Pathway
Target(s) Melatonin receptor Target Info Inhibitor [526317]
Melatonin receptor type 1B Target Info Inhibitor [526317]
NRH dehydrogenase [quinone] 2 Target Info Inhibitor [529999]
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 526317J 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 526317J 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 529999J 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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