Compound Detail
CHEMBL183660
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Basic Information
| ChEMBL ID | CHEMBL183660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLZGNFOBDIGKFZ-JSGCOSHPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.63
ALogP
4
HBA
1
HBD
65.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Pro-cathepsin H CHEMBL2225 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC | 15780613 |
| Procathepsin L | IC50 | = | 81.0 | nM | 7.09 | Inhibitory concentration against human cathepsin L using 5 uM Cbz-Phe-Arg-AMC | 15780613 |
| Cathepsin B | IC50 | = | 680.0 | nM | 6.17 | Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC | 15780613 |
| Pro-cathepsin H | IC50 | = | 8300.0 | nM | 5.08 | Inhibitory concentration against human cathepsin H using 50 uM L-Arg-beta-naphth... | 15780613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Cathepsin K | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Cathepsin B | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Pro-cathepsin H | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Procathepsin L | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine