Drug General Information
Drug ID	D05YQE
Former ID	DNC011804
Drug Name	3-(2,2-Dimethyl-propoxy)-9H-beta-carboline
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526755]
Structure		Download 2D MOL 3D MOL
Formula	C16H18N2O
Canonical SMILES	CC(C)(C)COC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI	1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3
InChIKey	YABCOKXBPACNCE-UHFFFAOYSA-N
PubChem Compound ID	10402001
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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