Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P2VL
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| Former ID |
DNC014367
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| Drug Name |
9-O-[3-(4-Nitro-phenoxyl)butyl]-berberine bromide
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| Synonyms |
CHEMBL1165676
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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 |
C29H27N2O7+
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCCOC6=CC=C(C=C6)[N+](=O)[O-]
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| InChI |
1S/C29H27N2O7/c1-34-26-9-4-19-14-25-23-16-28-27(37-18-38-28)15-20(23)10-11-30(25)17-24(19)29(26)36-13-3-2-12-35-22-7-5-21(6-8-22)31(32)33/h4-9,14-17H,2-3,10-13,18H2,1H3/q+1
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| InChIKey |
APBFBLUUWLQIQX-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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