Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02QMU
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| Former ID |
DNC014368
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| Drug Name |
9-O-[3-(2-Pyridinoxyl)butyl]-berberine bromide
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| Synonyms |
CHEMBL1163829
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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 |
C28H27N2O5+
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCCOC6=CC=CC=N6
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| InChI |
1S/C28H27N2O5/c1-31-24-8-7-19-14-23-21-16-26-25(34-18-35-26)15-20(21)9-11-30(23)17-22(19)28(24)33-13-5-4-12-32-27-6-2-3-10-29-27/h2-3,6-8,10,14-17H,4-5,9,11-13,18H2,1H3/q+1
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| InChIKey |
MZPIENUCQFUDBE-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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