Drug General Information
Drug ID	D01IHM
Former ID	DNC004062
Drug Name	CI-218872
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[533745]
Structure		Download 2D MOL 3D MOL
Formula	C13H9F3N4
Canonical SMILES	CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F
InChI	1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChIKey	GUOQUXNJZHGPQF-UHFFFAOYSA-N
PubChem Compound ID	107950
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit beta-2	Target Info	Inhibitor	[533745]
	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[533745]
	Gamma-aminobutyric-acid receptor alpha-5 subunit	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric acid receptor subunit gamma-2	Target Info	Inhibitor	[533745]
	Gamma-aminobutyric-acid receptor alpha-2 subunit	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[531188]
	Gamma-aminobutyric-acid receptor alpha-3 subunit	Target Info	Inhibitor	[531188]
KEGG Pathway	Neuroactive ligand-receptor interaction
	Retrograde endocannabinoid signaling
	Serotonergic synapse
	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 transportWP706:SIDS Susceptibility Pathways
	Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
	Iron uptake and transport
References
Ref 533745	J Med Chem. 1994 Dec 23;37(26):4576-80.Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor.
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 533745	J Med Chem. 1994 Dec 23;37(26):4576-80.Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor.

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