Compound Detail
CHEMBL4077037
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Cc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c1C
Basic Information
| ChEMBL ID | CHEMBL4077037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWXBHHXHLYJPNQ-VXKWHMMOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.35 | 7.35 | 44.7 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells u... | 27769033 |
| MGC-803 | IC50 | = | 6.298 | nM | 8.2 | Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay | 27769033 |
| HepG2 | IC50 | = | 44.68 | nM | 7.35 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 27769033 |
| Proteasome component C5 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of caspase-like activity of 20S proteasome in human HL60 cells using ... | 27769033 |
| Proteasome Macropain subunit | IC50 | = | 340.0 | nM | 6.47 | Inhibition of trypsin-like activity of 20S proteasome in human HL60 cells using ... | 27769033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27769033 | 10.1016/j.ejmech.2016.10.023 | Proteasome Macropain subunit MB1 | 1 |
| 27769033 | 10.1016/j.ejmech.2016.10.023 | HepG2 | 1 |
| 27769033 | 10.1016/j.ejmech.2016.10.023 | MGC-803 | 1 |
| 27769033 | 10.1016/j.ejmech.2016.10.023 | Proteasome Macropain subunit | 1 |
| 27769033 | 10.1016/j.ejmech.2016.10.023 | Proteasome component C5 | 1 |
Data from ChEMBL 36 via Core Engine