Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09RJH
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| Former ID |
DNC006634
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| Drug Name |
Huprine X
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [528216] | ||
| Formula |
C18H19ClN2
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| Canonical SMILES |
CCC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N
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| InChI |
1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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| InChIKey |
QTPHSDHUHXUYFE-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Acetylcholinesterase | Target Info | Inhibitor | [529473] | |
| Cholinesterase | Target Info | Inhibitor | [528216] | ||
| 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 | |||||
| Ref 528216 | J Med Chem. 2006 Jun 1;49(11):3421-5.Discovery of huperzine A-tacrine hybrids as potent inhibitors of human cholinesterases targeting their midgorge recognition sites. | ||||
| Ref 529473 | J Med Chem. 2008 Jun 12;51(11):3154-70. Epub 2008 May 15.Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. | ||||