Compound Detail
CHEMBL179042
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CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)/N=C/c1cccc(B(O)O)c1
Basic Information
| ChEMBL ID | CHEMBL179042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRDXAZFMGHVTFK-OCSSWDANSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
516.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.74 | 4.715 | 18400.0 | 2 |
| Proteasome CHEMBL612443 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 16200.0 | nM | 4.79 | Inhibitory concentration of the compound was determined against L1210 cells | 15634028 |
| B16 | IC50 | = | 18400.0 | nM | 4.74 | Inhibitory concentration of the compound was determined against melanocyte Mel-A... | 15634028 |
| B16 | IC50 | = | 20400.0 | nM | 4.69 | Inhibitory concentration of the compound was determined against melanoma B16 cel... | 15634028 |
| Proteasome | IC50 | = | 53000.0 | nM | 4.28 | Inhibitory concentration against 20S proteasome chymotrypsin-like activity | 15634028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634028 | 10.1021/jm049455f | B16 | 2 |
| 15634028 | 10.1021/jm049455f | Proteasome | 1 |
| 15634028 | 10.1021/jm049455f | L1210 | 1 |
| 15634028 | 10.1021/jm049455f | Calpain-1 catalytic subunit | 1 |
| 15634028 | 10.1021/jm049455f | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine