Compound Detail
CHEMBL1923961
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CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL1923961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVGWXNDNARVPIC-UWJYYQICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
3.05
ALogP
4
HBA
3
HBD
108.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3747 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 13.0 | nM | 7.89 | Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric an... | 21955158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21955158 | 10.1021/jm200471r | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine