Compound Detail
CHEMBL205269
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Basic Information
| ChEMBL ID | CHEMBL205269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGGMSGDELANCQW-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.23
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL4062 | Ki | 5.18 | 5.18 | 6650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | Ki | = | 6650.0 | nM | 5.18 | Inhibition of mu calpain in porcine erythrocyte | 16412635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16412635 | 10.1016/j.bmcl.2005.12.068 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine