Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
CHEMBL1163253
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C41H36N2O8+2
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCOC6=C(C=CC7=CC8=[N+](CCC9=CC1=C(C=C98)OCO1)C=C76)OC
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| InChI |
1S/C41H36N2O8/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/q+2
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| InChIKey |
AOMDJTYUICYNJP-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 | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| Irinotecan 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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