Drug Information

Drug General Information
Drug ID
D0X2CC
Former ID
DNC011787
Drug Name
1-(9H-beta-Carbolin-3-yl)-butan-1-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526755]
Formula
C15H14N2O
Canonical SMILES
CCCC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3
InChIKey
QIZPCEVRKTWHIE-UHFFFAOYSA-N
PubChem Compound ID
4713438
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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