Compound Detail
CHEMBL2163795
PALMATINE CHLORIDE HYDRATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2163795 |
| Name | PALMATINE CHLORIDE HYDRATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIQNSCSNSSZUIT-UHFFFAOYSA-M |
| Parent Compound | CHEMBL206106 |
| Active Moiety | CHEMBL206106 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.38
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.39 | 5.39 | 4070.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.04 | 4.04 | 92150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1690.0 | nM | 5.77 | Inhibition of human AChE by Ellman's method | 23062825 |
| Acetylcholinesterase | IC50 | = | 4070.0 | nM | 5.39 | Inhibition of electric eel AChE by Ellman's method | 23062825 |
| Unchecked | IC50 | = | 92150.0 | nM | 4.04 | Inhibition of HFIP-induced amyloid beta (1 to 40) aggregation after 45 mins by t... | 23062825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Unchecked | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine