Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04ZJK
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| Former ID |
DNC012824
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| Drug Name |
BIS(20)-HUPERZINE B
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| Synonyms |
Bis(20)-Huperzine B; Bis-huperzine B 5h; bis(20)-HupB; CHEMBL368897; BDBM10948
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C52H76N6O4
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| Canonical SMILES |
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CCN(C)CCCCCCCCCCCCN(C)CCC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
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| InChI |
1S/C52H76N6O4/c1-37-31-39-33-45-43(19-21-47(59)53-45)51(35-37)41(39)17-15-27-57(51)49(61)23-29-55(3)25-13-11-9-7-5-6-8-10-12-14-26-56(4)30-24-50(62)58-28-16-18-42-40-32-38(2)36-52(42,58)44-20-22-48(60)54-46(44)34-40/h19-22,31-32,39-42H,5-18,23-30,33-36H2,1-4H3,(H,53,59)(H,54,60)/t39?,40?,41-,42-,51-,52-/m1/s1
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| InChIKey |
TUYZMCKAYFZSRO-JDUDQBENSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | 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 | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors. J Med Chem. 2005 Feb 10;48(3):655-7. | |||
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