Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09MYJ
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| Former ID |
DNC011803
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| Drug Name |
3-Isobutoxy-9H-beta-carboline
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| Synonyms |
CHEMBL87334; CHEMBL1269093; ZINC13728526; BDBM50001470; 3-isobutoxy-9H-pyrido[3,4-b]indole
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H16N2O
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| Canonical SMILES |
CC(C)COC1=NC=C2C(=C1)C3=CC=CC=C3N2
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| InChI |
1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3
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| InChIKey |
KWHWSXISOMCUPZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [1], [2] |
| GABA(A) receptor alpha-2 (GABRA2) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor alpha-3 (GABRA3) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor alpha-5 (GABRA5) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor gamma-2 (GABRG2) | Target Info | Inhibitor | [2] | |
| Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [1], [2] | |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach. J Med Chem. 1992 Oct 30;35(22):4001-10. | |||
| REF 2 | Design, synthesis, and subtype selectivity of 3,6-disubstituted -carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents f... Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. | |||
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