Drug Information

Drug General Information
Drug ID
D0C6WO
Former ID
DNC011248
Drug Name
Sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531188]
Formula
C16H16N2O2
Canonical SMILES
CCC(C)OC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3
InChIKey
HRNSOLSYHZMSCD-UHFFFAOYSA-N
PubChem Compound ID
14151061
Target and Pathway
Target(s) Gamma-aminobutyric-acid receptor alpha-5 subunit Target Info Inhibitor [531188]
Gamma-aminobutyric acid receptor Target Info Inhibitor [531188]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [531188]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [531188]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [531188]
Gamma-aminobutyric-acid receptor alpha-2 subunit 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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