Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09XSI
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| Former ID |
DNC014189
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| Drug Name |
9-O-[5-(Phenylol-1-yloxy)pentyl]berberine bromide
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| Synonyms |
CHEMBL598528
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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 |
C30H30NO5+
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCCCOC6=CC=CC=C6
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| InChI |
1S/C30H30NO5/c1-32-27-11-10-21-16-26-24-18-29-28(35-20-36-29)17-22(24)12-13-31(26)19-25(21)30(27)34-15-7-3-6-14-33-23-8-4-2-5-9-23/h2,4-5,8-11,16-19H,3,6-7,12-15,20H2,1H3/q+1
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| InChIKey |
DIJNAHNGFYBCMU-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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