Compound Detail
CHEMBL269333
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Basic Information
| ChEMBL ID | CHEMBL269333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXPOSONKGPLCCC-KRWDZBQOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
1.75
ALogP
6
HBA
1
HBD
102.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 8.1 | 7.2933 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity towards human calpain I | 11585453 |
| Calpain-1 catalytic subunit | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory activity against recombinant human calpain 1 | 15013018 |
| Calpain-1 catalytic subunit | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) | 11585453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585453 | 10.1021/jm010178b | Calpain-1 catalytic subunit | 2 |
| 15013018 | 10.1016/j.bmcl.2003.11.037 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine