Compound Detail
CHEMBL2337842
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C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2337842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGDCRYXHMVNDSR-MBXWNNNFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1202.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Ki 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 7.17 | 6.935 | 67.0 | 2 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.15 | 6.15 | 707.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | Ki | = | 67.0 | nM | 7.17 | Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s pr... | 23540790 |
| Proteasome Macropain subunit MB1 | Ki | = | 200.0 | nM | 6.7 | Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s pr... | 23540790 |
| Proteasome Macropain subunit | IC50 | = | 700.0 | nM | 6.16 | Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 ... | 23540790 |
| Proteasome Macropain subunit MB1 | IC50 | = | 707.0 | nM | 6.15 | Inhibition of chymotrypsin-like activity of human constitutive 20s proteasome be... | 23540790 |
| Proteasome component C5 | IC50 | = | 2560.0 | nM | 5.59 | Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subu... | 23540790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23540790 | 10.1021/jm4002007 | Proteasome Macropain subunit MB1 | 3 |
| 23540790 | 10.1021/jm4002007 | Cathepsin B | 1 |
| 23540790 | 10.1021/jm4002007 | Calpain-1 catalytic subunit | 1 |
| 23540790 | 10.1021/jm4002007 | Proteasome Macropain subunit | 1 |
| 23540790 | 10.1021/jm4002007 | Proteasome component C5 | 1 |
Data from ChEMBL 36 via Core Engine