Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
CHEMBL1163560
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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 |
C40H34N2O8+2
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCOC6=C(C=CC7=CC8=[N+](CCC9=CC1=C(C=C98)OCO1)C=C76)OC
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| InChI |
1S/C40H34N2O8/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/q+2
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| InChIKey |
KHTZNQPZFCEMGU-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| Cholinesterase (BCHE) | Target Info | Inhibitor | [1] | |
| 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 pathway | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Irinotecan Pathway | |||
| Monoamine Transport | ||||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase. Bioorg Med Chem. 2010 Jun 15;18(12):4475-84. | |||
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