Compound Detail
CHEMBL567134
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Basic Information
| ChEMBL ID | CHEMBL567134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLZYXSQGILGQAI-UHFFFAOYSA-N |
11
Targets
13
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.40
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Papain CHEMBL4779 | IC50 | 7.48 | 7.48 | 33.1 | 1 |
| Cathepsin K CHEMBL268 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.98 | 6.98 | 104.7 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
| Cathepsin Z CHEMBL4160 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.25 | 6.25 | 562.3 | 1 |
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 6.23 | 6.23 | 588.8 | 1 |
| Pro-cathepsin H CHEMBL2225 | IC50 | 6.19 | 6.19 | 645.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 4.15 | 4.15 | 70794.6 | 1 |
| Caspase-1 CHEMBL4801 | IC50 | 4.15 | 4.15 | 70794.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Papain | IC50 | = | 33.11 | nM | 7.48 | Inhibition of papaya papain | 19908842 |
| Cathepsin K | IC50 | = | 50.12 | nM | 7.3 | Inhibition of human Cathepsin K/O2 | 19908842 |
| Cathepsin S | IC50 | = | 104.71 | nM | 6.98 | Inhibition of human Cathepsin S | 19908842 |
| Cruzipain | IC50 | = | 251.0 | nM | 6.6 | Inhibition of Trypanosoma cruzi cruzain after 15 mins | 19908842 |
| Cathepsin Z | IC50 | = | 316.23 | nM | 6.5 | Inhibition of human Cathepsin X/Z | 19908842 |
| Procathepsin L | IC50 | = | 562.34 | nM | 6.25 | Inhibition of human Cathepsin L | 19908842 |
| Dipeptidyl peptidase 1 | IC50 | = | 588.84 | nM | 6.23 | Inhibition of human Cathepsin C | 19908842 |
| Pro-cathepsin H | IC50 | = | 645.65 | nM | 6.19 | Inhibition of human Cathepsin H | 19908842 |
| Unchecked | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of human CCC1s | 19908842 |
| Caspase-1 | IC50 | = | 70794.58 | nM | 4.15 | Inhibition of human Caspase 1 | 19908842 |
| Cathepsin L2 | IC50 | = | 70794.58 | nM | 4.15 | Inhibition of human Cathepsin V | 19908842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908842 | 10.1021/jm901069a | Cruzipain | 1 |
| 19908842 | 10.1021/jm901069a | Caspase-1 | 1 |
| 19908842 | 10.1021/jm901069a | Dipeptidyl peptidase 1 | 1 |
| 19908842 | 10.1021/jm901069a | Pro-cathepsin H | 1 |
| 19908842 | 10.1021/jm901069a | Cathepsin K | 1 |
| 19908842 | 10.1021/jm901069a | Procathepsin L | 1 |
| 19908842 | 10.1021/jm901069a | Cathepsin S | 1 |
| 19908842 | 10.1021/jm901069a | Cathepsin L2 | 1 |
| 19908842 | 10.1021/jm901069a | Papain | 1 |
| 19908842 | 10.1021/jm901069a | Cathepsin Z | 1 |
| 19908842 | 10.1021/jm901069a | Matrix metalloproteinase-14 | 1 |
| 19908842 | 10.1021/jm901069a | Unchecked | 1 |
| 19908842 | 10.1021/jm901069a | Kallikrein-4 | 1 |
| 19908842 | 10.1021/jm901069a | Mus musculus | 1 |
| 19908842 | 10.1021/jm901069a | Rattus norvegicus | 1 |
| 19908842 | 10.1021/jm901069a | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine