Drug General Information
Drug ID	D06DTT
Former ID	DNC012598
Drug Name	RO-054520
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[533368]
Structure		Download 2D MOL 3D MOL
Formula	C16H13FN2O
Canonical SMILES	CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3F
InChI	1S/C16H13FN2O/c1-19-14-9-5-3-7-12(14)16(18-10-15(19)20)11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
InChIKey	YVTVBCWQHDDTGB-UHFFFAOYSA-N
PubChem Compound ID	193319
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[533368]
	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[533368]
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 533368	J Med Chem. 1988 Dec;31(12):2235-46.Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.
Ref 533368	J Med Chem. 1988 Dec;31(12):2235-46.Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.

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