Compound Detail
CHEMBL245079
HUPERZINE B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL245079 |
| Name | HUPERZINE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYWGABLTRMRUIT-HWWQOWPSSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.09
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Ki 2 meas. best 6.48
EC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Acetylcholinesterase CHEMBL4780 | Ki | 6.48 | 6.48 | 334.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | Ki | 6.1 | 6.1 | 794.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.71 | 4.71 | 19300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | EC50 | = | 19.0 | nM | 7.72 | In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-d... | 12182861 |
| Acetylcholinesterase | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of human recombinant AChE. | 12182861 |
| Acetylcholinesterase | Ki | = | 334.0 | nM | 6.48 | Inhibition of Torpedo californica AChE | 18479118 |
| Acetylcholinesterase | Ki | = | 794.0 | nM | 6.1 | Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase | 12031333 |
| Acetylcholinesterase | IC50 | = | 19300.0 | nM | 4.71 | Inhibitory concentration against acetylcholinesterase of rat cortex homogenate | 15689148 |
| Acetylcholinesterase | IC50 | = | 19300.0 | nM | 4.71 | Inhibition of AChE in rat cortex at pH 5 | 17126020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182861 | 10.1016/s0960-894x(02)00482-1 | Felis catus | 5 |
| 12182861 | 10.1016/s0960-894x(02)00482-1 | Acetylcholinesterase | 2 |
| 12031333 | 10.1016/s0960-894x(02)00204-4 | Acetylcholinesterase | 1 |
| 15689148 | 10.1021/jm0496178 | Acetylcholinesterase | 1 |
| 15689148 | 10.1021/jm0496178 | Butyrylcholinesterase | 1 |
| 15689148 | 10.1021/jm0496178 | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | 1 |
| 17126020 | 10.1016/j.bmc.2006.11.009 | Acetylcholinesterase | 1 |
| 17126020 | 10.1016/j.bmc.2006.11.009 | Butyrylcholinesterase | 1 |
| 17126020 | 10.1016/j.bmc.2006.11.009 | Unchecked | 1 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
| 27086123 | 10.1016/j.bmcl.2016.04.019 | Acetyl-CoA acetyltransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine