Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y5KA
|
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| Former ID |
DNC003565
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| Drug Name |
HEPTYPHYSOSTIGMINE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [528106] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C21H33N3O2
|
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| Canonical SMILES |
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C2(CCN3C)C)C
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| InChI |
1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
|
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| InChIKey |
RRGMXBQMCUKRLH-CTNGQTDRSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cholinesterase | Target Info | Inhibitor | [528106] | |
| Acetylcholinesterase | Target Info | Inhibitor | [531080] | ||
| 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 528106 | J Med Chem. 2006 Apr 6;49(7):2174-85.Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. | ||||
| Ref 531080 | J Med Chem. 2010 Sep 9;53(17):6490-505.Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology. | ||||
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