Compound Detail
CHEMBL129458
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Basic Information
| ChEMBL ID | CHEMBL129458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUFBOUSMDJZDOA-DQEYMECFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.84
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain 1 CHEMBL2111357 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of Calpain 1 by [3H]acetyl-casein assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00042-R | Calpain 1 | 1 |
Data from ChEMBL 36 via Core Engine