Drug General Information
Drug ID	D0J0CA
Former ID	DNC011810
Drug Name	BETA-CCM
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[533745]
Structure		Download 2D MOL 3D MOL
Formula	C13H10N2O2
Canonical SMILES	COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI	1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
InChIKey	UKHFPVCOXBJPIN-UHFFFAOYSA-N
PubChem Compound ID	107704
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit beta-2	Target Info	Inhibitor	[533745]
	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[533763]
	Gamma-aminobutyric acid receptor subunit gamma-2	Target Info	Inhibitor	[533546]
	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[533763]
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 transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
	Iron uptake and transportWP706:SIDS Susceptibility Pathways
	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 533546	J Med Chem. 1983 Apr;26(4):499-503.beta-Carbolines as benzodiazepine receptor ligands. 1. Synthesis and benzodiazepine receptor interaction of esters of beta-carboline-3-carboxylic acid.
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 533763	J Med Chem. 1995 Jan 6;38(1):189-98.Synthetic routes to 4-amino-3-carboxy-beta-carboline derivatives: incidental formation of novel furo[3,4-c]-beta-carbolin-2-ones displaying high affinities for thebenzodiazepine receptor.

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