Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05YQE
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| Former ID |
DNC011804
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| Drug Name |
3-(2,2-Dimethyl-propoxy)-9H-beta-carboline
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| Synonyms |
3-(Neopentyloxy)-9H-pyrido[3,4-b]indole; CHEMBL128348
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H18N2O
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| Canonical SMILES |
CC(C)(C)COC1=NC=C2C(=C1)C3=CC=CC=C3N2
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| InChI |
1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3
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| InChIKey |
YABCOKXBPACNCE-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] |
| Gamma-aminobutyric acid receptor (GAR) | 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 | 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. | |||
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