Drug General Information
Drug ID	D0FQ2N
Former ID	DNC012334
Drug Name	3-Isothiocyanato-9H-beta-carboline
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531518]
Structure		Download 2D MOL 3D MOL
Formula	C12H7N3S
Canonical SMILES	C1=CC=C2C(=C1)C3=CC(=NC=C3N2)N=C=S
InChI	1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H
InChIKey	NEOUOHDNZDRDNJ-UHFFFAOYSA-N
PubChem Compound ID	14146437
Target and Pathway
Target(s)	Gamma-aminobutyric acid receptor subunit gamma-2	Target Info	Inhibitor	[531518]
	Gamma-aminobutyric acid receptor	Target Info	Inhibitor	[531518]
	Gamma-aminobutyric acid receptor subunit beta-2	Target Info	Inhibitor	[531518]
	Gamma-aminobutyric acid receptor subunit alpha-1	Target Info	Inhibitor	[531518]
KEGG Pathway	Neuroactive ligand-receptor interaction
	Retrograde endocannabinoid signaling
	GABAergic synapse
	Morphine addiction
	Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
	Serotonergic synapse
	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 531518	J Med Chem. 1990 Sep;33(9):2343-57.Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site.
Ref 531518	J Med Chem. 1990 Sep;33(9):2343-57.Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site.

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