Compound Detail
CHEMBL2337846
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=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 | CHEMBL2337846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTCPKUWVGRDXTB-BFFKYOPISA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2088.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.83
Ki 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 7.97 | 7.97 | 10.6 | 1 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.72 | 7.02 | 19.1 | 2 |
| Proteasome component C5 CHEMBL4208 | IC50 | 6.46 | 6.46 | 346.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | Ki | = | 10.6 | nM | 7.97 | Competitive inhibition of chymotrypsin-like activity of human constitutive 20s p... | 23540790 |
| Proteasome Macropain subunit | IC50 | = | 14.8 | nM | 7.83 | Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 ... | 23540790 |
| Proteasome Macropain subunit MB1 | IC50 | = | 19.1 | nM | 7.72 | Inhibition of chymotrypsin-like activity of human constitutive 20s proteasome be... | 23540790 |
| Proteasome component C5 | IC50 | = | 346.0 | nM | 6.46 | Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subu... | 23540790 |
| Proteasome Macropain subunit MB1 | IC50 | = | 476.0 | nM | 6.32 | Inhibition of chymotrypsin-like activity of proteasome beta-5 subunit in HEK293 ... | 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 | 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