Compound Detail
CHEMBL4865958
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Basic Information
| ChEMBL ID | CHEMBL4865958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSKGJERRKYHFTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
178.6
MW (Da)
2.35
ALogP
3
HBA
0
HBD
49.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... | 33894528 |
| Proteasome Macropain subunit MB1 | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of beta 5 chymotrypsin-like activity (unknown origin) using Suc-LLVY-... | 33894528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine