Drug General Information
Drug ID
D0N9DG
Former ID
DNC011826
Drug Name
3-Isopropoxy-9H-beta-carboline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526755]
Structure
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2D MOL

3D MOL

Formula
C14H14N2O
Canonical SMILES
CC(C)OC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3
InChIKey
AKHQVIZELNFWSQ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [526755]
Gamma-aminobutyric acid receptor Target Info Inhibitor [526755]
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 526755J Med Chem. 1992 Oct 30;35(22):4001-10.Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.
Ref 526755J Med Chem. 1992 Oct 30;35(22):4001-10.Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.

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