Compound Detail
CHEMBL360092
BIS(8)-HUPERZINE B Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=CC2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCN(C)CC(=O)N1CCC[C@@H]2C3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3
Basic Information
| ChEMBL ID | CHEMBL360092 |
| Name | BIS(8)-HUPERZINE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTEOPWRYKGOSFE-KUNPEOQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
680.9
MW (Da)
3.54
ALogP
6
HBA
2
HBD
112.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1020.0 | nM | 5.99 | Inhibitory concentration against acetylcholinesterase of rat cortex homogenate | 15689148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689148 | 10.1021/jm0496178 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine