Drug Information

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]
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 531518J Med Chem. 1990 Sep;33(9):2343-57.Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site.
Ref 531518J 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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