Compound Detail
CHEMBL4226767
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Basic Information
| ChEMBL ID | CHEMBL4226767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDOGVSMVDMDCMI-QHCPKHFHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.87
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.55 | 6.55 | 283.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.2 | 6.2 | 635.0 | 1 |
| Falcipain 2 CHEMBL5800 | IC50 | 6.18 | 6.18 | 667.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.66 | 5.66 | 2210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 213.0 | nM | 6.67 | Inhibition of human cathepsin K | 29615344 |
| Cathepsin S | IC50 | = | 283.0 | nM | 6.55 | Inhibition of human cathepsin S | 29615344 |
| Procathepsin L | IC50 | = | 635.0 | nM | 6.2 | Inhibition of human cathepsin L | 29615344 |
| Falcipain 2 | IC50 | = | 667.0 | nM | 6.18 | Inhibition of Plasmodium falciparum falcipain-2 | 29615344 |
| Cathepsin B | IC50 | = | 2210.0 | nM | 5.66 | Inhibition of human cathepsin B | 29615344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29615344 | 10.1016/j.bmcl.2018.03.069 | Cathepsin S | 1 |
| 29615344 | 10.1016/j.bmcl.2018.03.069 | Procathepsin L | 1 |
| 29615344 | 10.1016/j.bmcl.2018.03.069 | Cathepsin K | 1 |
| 29615344 | 10.1016/j.bmcl.2018.03.069 | Cathepsin B | 1 |
| 29615344 | 10.1016/j.bmcl.2018.03.069 | Falcipain 2 | 1 |
Data from ChEMBL 36 via Core Engine