Compound Detail
CHEMBL442947
ERYSOTRINE 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
Basic Information
| ChEMBL ID | CHEMBL442947 |
| Name | ERYSOTRINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXVSPYOOFCCEII-KXBFYZLASA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.67
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.22 | 6.22 | 600.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]cytisine from alpha4/beta2 nAChR (unknown origin) | 24187998 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human SH-... | 29384668 |
| Plasmodium falciparum | IC50 | = | 20600.0 | nM | 4.69 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 inf... | 35461019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19026536 | 10.1016/j.bmcl.2008.10.111 | Jurkat | 3 |
| 24187998 | 10.1021/jm4013592 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 35461019 | 10.1016/j.ejmech.2022.114361 | Plasmodium falciparum | 1 |
| 35461019 | 10.1016/j.ejmech.2022.114361 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine