Compound Detail
CHEMBL566691
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Basic Information
| ChEMBL ID | CHEMBL566691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBCCNMDXOPPQRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.31
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as ... | 23350811 |
| Cruzipain | IC50 | = | 890.0 | nM | 6.05 | Inhibition of Trypanosoma cruzi cruzain after 15 mins | 19908842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23350811 | 10.1021/jm3013932 | Cathepsin K | 2 |
| 19908842 | 10.1021/jm901069a | Cruzipain | 1 |
| 23350811 | 10.1021/jm3013932 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine