Drug Information

Drug General Information
Drug ID
D03PPZ
Former ID
DNC011244
Drug Name
Beta-Carboline-3-carboxylic acid t-butyl ester
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531188]
Formula
C16H16N2O2
Canonical SMILES
CC(C)(C)OC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
InChIKey
FVFFDKKTXYVCCW-UHFFFAOYSA-N
PubChem Compound ID
124514
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [531188]
Gamma-aminobutyric acid receptor Target Info Inhibitor [531188]
Gamma-aminobutyric-acid receptor alpha-5 subunit Target Info Inhibitor [531188]
Gamma-aminobutyric-acid receptor alpha-2 subunit Target Info Inhibitor [531188]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [531188]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [531188]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
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 531188Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted |A-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.
Ref 531188Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted |A-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.

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