Drug Information

Drug General Information
Drug ID
D08BXK
Former ID
DNC011813
Drug Name
3-(3-Methyl-butoxy)-9H-beta-carboline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526755]
Structure
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2D MOL

3D MOL
Formula
C16H18N2O
Canonical SMILES
CC(C)CCOC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3
InChIKey
LGSILYYIMNHYCP-UHFFFAOYSA-N
PubChem Compound ID
11779007
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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