Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0K2FQ
|
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| Former ID |
DNC014370
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| Drug Name |
1,2-Di(berberine-9-O-yl)ethane dibromide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [530920] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C40H34Br2N2O8
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCOC<br />6=C(C=CC7=CC8=[N+](CCC9=CC1=C(C=C98)OCO1)C=C76)OC.[Br-]<br />.[Br-]
|
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| InChI |
1S/C40H34N2O8.2BrH/c1-43-33-5-3-23-13-31-27-17-37-35(47-21-49-37)15-25(27)7-9-41(31)19-29(23)39(33)45-11-12-46-40-30-20-42-10-8-26-16-36-38(50-22-48-36)18-28(26)32(42)14-24(30)4-6-34(40)44-2;;/h3-6,13-20H,7-12,21-22H2,1-2H3;2*1H/q+2;;/p-2
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| InChIKey |
WVSYQNNSVJQPFI-UHFFFAOYSA-L
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cholinesterase | Target Info | Inhibitor | [530920] | |
| Acetylcholinesterase | Target Info | Inhibitor | [530920] | ||
| KEGG Pathway | Glycerophospholipid metabolism | ||||
| Cholinergic synapse | |||||
| PANTHER Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | ||||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathway | |||||
| Pathway Interaction Database | ATF-2 transcription factor network | ||||
| PathWhiz Pathway | Phospholipid Biosynthesis | ||||
| References | |||||
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