Compound Detail
CHEMBL253316
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Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCc2ccccn2)[nH]c2ccccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL253316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HESGOKFAHFGOJV-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
2.50
ALogP
5
HBA
3
HBD
121.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 5.2 | 5.2 | 6280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 6280.0 | nM | 5.2 | Inhibition of human mu-calpain | 18024028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36827952 | 10.1016/j.ejmech.2023.115211 | Leishmania donovani | 2 |
| 18024028 | 10.1016/j.bmcl.2007.10.097 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine