Compound Detail
CHEMBL2337843
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C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2337843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZMANQFEVRSMIN-WHDKMUDOSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1749.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Ki 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 7.99 | 7.99 | 10.3 | 1 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 7.7 | 7.7 | 20.2 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.59 | 6.93 | 25.8 | 2 |
| Proteasome component C5 CHEMBL4208 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 50.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | Ki | = | 10.3 | nM | 7.99 | Competitive inhibition of chymotrypsin-like activity of human constitutive 20s p... | 23540790 |
| Proteasome Macropain subunit | IC50 | = | 20.2 | nM | 7.7 | Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 ... | 23540790 |
| Proteasome Macropain subunit MB1 | IC50 | = | 25.8 | nM | 7.59 | Inhibition of chymotrypsin-like activity of human constitutive 20s proteasome be... | 23540790 |
| Proteasome Macropain subunit MB1 | IC50 | = | 541.0 | nM | 6.27 | Inhibition of chymotrypsin-like activity of proteasome beta-5 subunit in HEK293 ... | 23540790 |
| Proteasome component C5 | IC50 | = | 590.0 | nM | 6.23 | 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 | Proteasome component C5 | 2 |
| 23540790 | 10.1021/jm4002007 | No relevant target | 1 |
| 23540790 | 10.1021/jm4002007 | Cathepsin B | 1 |
| 23540790 | 10.1021/jm4002007 | Calpain-1 catalytic subunit | 1 |
| 23540790 | 10.1021/jm4002007 | Proteasome Macropain subunit | 1 |
Data from ChEMBL 36 via Core Engine