Compound Detail
CHEMBL4747215
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](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2[nH]ccc12
Basic Information
| ChEMBL ID | CHEMBL4747215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLPUAYZYRCNPBF-CYFREDJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
2.64
ALogP
5
HBA
5
HBD
141.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 7.55 | 7.55 | 28.4 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 28.4 | nM | 7.55 | Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity | 33095579 |
| Proteasome Macropain subunit MB1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human constitutive 20S proteasome beta 5 chymotrypsin-like activit... | 33095579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome subunit beta type-8 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome Macropain subunit MB1 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine