Compound Detail
CHEMBL480161
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Basic Information
| ChEMBL ID | CHEMBL480161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQKZQMJLTVCJCU-JSGCOSHPSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
1.76
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.87 | 6.485 | 135.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 135.0 | nM | 6.87 | Inhibition of ovine CAPN2 | 18571418 |
| Unchecked | IC50 | = | 135.0 | nM | 6.87 | Inhibition of ovine CAPN2 using BODIPY-labeled casein substrate by fluorometric ... | 21955158 |
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibition of ovine CAPN1 | 18571418 |
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibition of ovine CAPN1 using BODIPY-labeled casein substrate by fluorometric ... | 21955158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571418 | 10.1016/j.bmc.2008.05.048 | Unchecked | 3 |
| 21955158 | 10.1021/jm200471r | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine