Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0P5BT
|
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| Former ID |
DNC014371
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| Drug Name |
1,3-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 |
C41H36Br2N2O8
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCO<br />C6=C(C=CC7=CC8=[N+](CCC9=CC1=C(C=C98)OCO1)C=C76)OC.[Br-<br />].[Br-]
|
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| InChI |
1S/C41H36N2O8.2BrH/c1-44-34-6-4-24-14-32-28-18-38-36(48-22-50-38)16-26(28)8-10-42(32)20-30(24)40(34)46-12-3-13-47-41-31-21-43-11-9-27-17-37-39(51-23-49-37)19-29(27)33(43)15-25(31)5-7-35(41)45-2;;/h4-7,14-21H,3,8-13,22-23H2,1-2H3;2*1H/q+2;;/p-2
|
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| InChIKey |
BSPGLVGRCJJLCO-UHFFFAOYSA-L
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Acetylcholinesterase | Target Info | Inhibitor | [530920] | |
| Cholinesterase | 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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