Drug General Information
Drug ID	D0X2CC
Former ID	DNC011787
Drug Name	1-(9H-beta-Carbolin-3-yl)-butan-1-one
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526755]
Structure		Download 2D MOL 3D MOL
Formula	C15H14N2O
Canonical SMILES	CCCC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI	1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3
InChIKey	QIZPCEVRKTWHIE-UHFFFAOYSA-N
PubChem Compound ID	4713438
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[526755]
	Gamma-aminobutyric acid receptor	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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