Compound Detail
CHEMBL356841
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Basic Information
| ChEMBL ID | CHEMBL356841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YURCDSVPGYKHDQ-ROUUACIJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
3.06
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Calpain-9 CHEMBL4523126 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
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 evaluated against recombinant human calpain 1 | - |
| Calpain-9 | IC50 | = | 2350.0 | nM | 5.63 | Inhibition of human recombinant mini-CAPN9 pre-incubated for 10 mins before calp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00063-2 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine