Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00FPI
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| Former ID |
DNC014372
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| Drug Name |
1,4-Di(berberine-9-O-yl)ethane dibromide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [530920] | ||
| Formula |
C42H38Br2N2O8
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| Canonical SMILES |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCC<br />OC6=C(C=CC7=CC8=[N+](CCC9=CC1=C(C=C98)OCO1)C=C76)OC.[Br<br />-].[Br-]
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| InChI |
1S/C42H38N2O8.2BrH/c1-45-35-7-5-25-15-33-29-19-39-37(49-23-51-39)17-27(29)9-11-43(33)21-31(25)41(35)47-13-3-4-14-48-42-32-22-44-12-10-28-18-38-40(52-24-50-38)20-30(28)34(44)16-26(32)6-8-36(42)46-2;;/h5-8,15-22H,3-4,9-14,23-24H2,1-2H3;2*1H/q+2;;/p-2
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| InChIKey |
MLORTBXYHWZHPQ-UHFFFAOYSA-L
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Acetylcholinesterase | Target Info | Inhibitor | [530920] | |
| Cholinesterase | Target Info | Inhibitor | [530920] | ||
| 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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||||
| Nicotinic acetylcholine receptor signaling pathway | |||||
| Pathway Interaction Database | ATF-2 transcription factor network | ||||
| PathWhiz Pathway | Phospholipid Biosynthesis | ||||
| References | |||||