Drug General Information
Drug ID	D09MYJ
Former ID	DNC011803
Drug Name	3-Isobutoxy-9H-beta-carboline
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526755]
Structure		Download 2D MOL 3D MOL
Formula	C15H16N2O
Canonical SMILES	CC(C)COC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI	1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3
InChIKey	KWHWSXISOMCUPZ-UHFFFAOYSA-N
PubChem Compound ID	10333698
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[526755]
	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[526755]
KEGG Pathway	Neuroactive ligand-receptor interaction
	Retrograde endocannabinoid signaling
	GABAergic synapse
	Morphine addiction
	Nicotine addiction
Reactome	Ligand-gated ion channel transport
	GABA A receptor activation
WikiPathways	SIDS Susceptibility Pathways
	Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
	Iron uptake and transport
References
Ref 526755	J Med Chem. 1992 Oct 30;35(22):4001-10.Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.
Ref 526755	J Med Chem. 1992 Oct 30;35(22):4001-10.Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.

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