Compound Detail
CHEMBL217938
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Basic Information
| ChEMBL ID | CHEMBL217938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKLLEEYLYWWLQU-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.31
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | Inhibition of POP in pig brain | 16919454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919454 | 10.1016/j.bmcl.2006.08.029 | Unchecked | 1 |
| 16919454 | 10.1016/j.bmcl.2006.08.029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine