Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0RA5T
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| Former ID |
DNC014493
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| Drug Name |
Pseudocolumbamine trifluoroacetate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C22H20F3NO6
|
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| Canonical SMILES |
COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)O.C(<br />=O)(C(F)(F)F)[O-]
|
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| InChI |
1S/C20H19NO4.C2HF3O2/c1-23-18-7-12-4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(21)15(12)10-17(18)22;3-2(4,5)1(6)7/h6-11H,4-5H2,1-3H3;(H,6,7)
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| InChIKey |
NJSNVNFFIBGGAE-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Acetylcholinesterase | 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 | |||||
| Pathway Interaction Database | ATF-2 transcription factor network | ||||
| PathWhiz Pathway | Phospholipid Biosynthesis | ||||
| WikiPathways | Monoamine Transport | ||||
| Biogenic Amine Synthesis | |||||
| Acetylcholine Synthesis | |||||
| Integrated Pancreatic Cancer Pathway | |||||
| References | |||||
| REF 1 | Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation. J Nat Prod. 2010 Oct 22;73(10):1632-5. doi: 10.1021/np100247r. Epub 2010 Sep 9. | ||||
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