Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03EPB
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| Former ID |
DNC012823
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| Drug Name |
BIS(18)-HUPERZINE B
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| Synonyms |
Bis(18)-Huperzine B; Bis-huperzine B 5g; bis(18)-HupB; CHEMBL176132; BDBM10947
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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 |
C50H72N6O4
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| Canonical SMILES |
CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)CCN(C)CCCCCCCCCCN(C)CCC(=O)N5CCCC6C57CC(=CC6CC8=C7C=CC(=O)N8)C
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| InChI |
1S/C50H72N6O4/c1-35-29-37-31-43-41(17-19-45(57)51-43)49(33-35)39(37)15-13-25-55(49)47(59)21-27-53(3)23-11-9-7-5-6-8-10-12-24-54(4)28-22-48(60)56-26-14-16-40-38-30-36(2)34-50(40,56)42-18-20-46(58)52-44(42)32-38/h17-20,29-30,37-40H,5-16,21-28,31-34H2,1-4H3,(H,51,57)(H,52,58)/t37?,38?,39-,40-,49-,50-/m1/s1
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| InChIKey |
AATUHPZQANSFHE-NKUZXIPXSA-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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