Drug General Information
Drug ID	D03PPZ
Former ID	DNC011244
Drug Name	Beta-Carboline-3-carboxylic acid t-butyl ester
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531188]
Structure		Download 2D MOL 3D MOL
Formula	C16H16N2O2
Canonical SMILES	CC(C)(C)OC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI	1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
InChIKey	FVFFDKKTXYVCCW-UHFFFAOYSA-N
PubChem Compound ID	124514
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit gamma-2	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric-acid receptor alpha-5 subunit	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric-acid receptor alpha-2 subunit	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric-acid receptor alpha-3 subunit	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[531188]
KEGG Pathway	Neuroactive ligand-receptor interaction
	Retrograde endocannabinoid signaling
	GABAergic synapse
	Morphine addiction
	Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
	Nicotine addiction
Reactome	Ligand-gated ion channel transport
	GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transport
	GABA A receptor activation
WikiPathways	Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
	Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
	Iron uptake and transportWP706:SIDS Susceptibility Pathways
	Iron uptake and transport
References
Ref 531188	Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted |A-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.
Ref 531188	Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted |A-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.

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