Compound Detail
CHEMBL207160
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(C)(=O)=O)C(=O)c1nnc(-c2ccccc2)o1
Basic Information
| ChEMBL ID | CHEMBL207160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVSKSRVEVUALEI-IHPCNDPISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
1.43
ALogP
9
HBA
4
HBD
189.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | Ki | = | 5.7 | nM | 8.24 | Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome | 16686537 |
| Unchecked | Ki | = | 5.7 | nM | 8.24 | Inhibition of chymotrypsin-like activity of human 20S proteasome | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686537 | 10.1021/jm058289o | Proteasome Macropain subunit | 1 |
| 16686537 | 10.1021/jm058289o | Proteasome Macropain subunit MB1 | 1 |
| 16686537 | 10.1021/jm058289o | Proteasome component C5 | 1 |
| 16686537 | 10.1021/jm058289o | Cathepsin B | 1 |
| 16686537 | 10.1021/jm058289o | Cathepsin S | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine