Compound Detail
CHEMBL242107
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 | CHEMBL242107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADHKESAPGWSTIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.2
MW (Da)
2.07
ALogP
6
HBA
1
HBD
119.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Chlorella vulgaris CHEMBL613342 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of photosynthesis in spinach chloroplast | 17142046 |
| Chlorella vulgaris | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll conte... | 17142046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29503024 | 10.1016/j.bmcl.2018.02.042 | Cathepsin B | 4 |
| 34865870 | 10.1016/j.ejmech.2021.113975 | Unchecked | 3 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | No relevant target | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Unchecked | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Chlorella vulgaris | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine