Drug Information

Drug General Information
Drug ID
D0R5OU
Former ID
DNC011250
Drug Name
3-(benzyloxy)-9H-pyrido[3,4-b]indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531188]
Structure
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2D MOL

3D MOL
Formula
C18H14N2O
Canonical SMILES
C1=CC=C(C=C1)COC2=NC=C3C(=C2)C4=CC=CC=C4N3
InChI
1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2
InChIKey
ZROLETFFKMIVMZ-UHFFFAOYSA-N
PubChem Compound ID
10335601
Target and Pathway
Target(s) 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]
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]
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 SIDS Susceptibility Pathways
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 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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