Drug Information

Drug General Information
Drug ID
D0S5PS
Former ID
DNC004108
Drug Name
5-[(1S)-1-ammonioethyl]isoxazol-3-olate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533514]
Structure
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2D MOL

3D MOL
Formula
C5H8N2O2
Canonical SMILES
CC(C1=CC(=O)NO1)N
InChI
1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey
ICRYUJPBYIPXQF-VKHMYHEASA-N
PubChem Compound ID
44279120
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [533514]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [533514]
Gamma-aminobutyric-acid receptor alpha-5 subunit Target Info Inhibitor [533514]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [533514]
Gamma-aminobutyric acid receptor Target Info Inhibitor [533514]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [533514]
Gamma-aminobutyric-acid receptor alpha-2 subunit Target Info Inhibitor [533514]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
Serotonergic synapse
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 transportWP706:SIDS Susceptibility Pathways
Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transport
References
Ref 533514J Med Chem. 1981 Dec;24(12):1377-83.gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects.
Ref 533514J Med Chem. 1981 Dec;24(12):1377-83.gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects.

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