Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S4RQ
|
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| Former ID |
DNC011821
|
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| Drug Name |
3-sec-Butoxy-9H-beta-carboline
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H16N2O
|
||||
| Canonical SMILES |
CCC(C)OC1=NC=C2C(=C1)C3=CC=CC=C3N2
|
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| InChI |
1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3
|
||||
| InChIKey |
JKWXAXMOLXCXJS-UHFFFAOYSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Gamma-aminobutyric acid receptor subunit alpha-1 | Target Info | Inhibitor | [1] | |
| Gamma-aminobutyric acid receptor | Target Info | Inhibitor | [1] | ||
| 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 1 | J 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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