Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02WKB
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| Former ID |
DNC014190
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| Drug Name |
9-O-[2-(Phenylol-1-yloxy)hexyl]berberine bromide
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| Synonyms |
CHEMBL605344
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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 |
C31H32NO5+
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCCCCOC6=CC=CC=C6
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| InChI |
1S/C31H32NO5/c1-33-28-12-11-22-17-27-25-19-30-29(36-21-37-30)18-23(25)13-14-32(27)20-26(22)31(28)35-16-8-3-2-7-15-34-24-9-5-4-6-10-24/h4-6,9-12,17-20H,2-3,7-8,13-16,21H2,1H3/q+1
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| InChIKey |
LXNXNTQFJHYTEN-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, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors. Bioorg Med Chem. 2010 Feb;18(3):1244-51. | |||
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