Compound Detail
CHEMBL4858265
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Basic Information
| ChEMBL ID | CHEMBL4858265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRDNTGJMQMSLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
185.6
MW (Da)
3.14
ALogP
2
HBA
1
HBD
28.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... | 33894528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894528 | 10.1016/j.ejmech.2021.113455 | ADMET | 4 |
| 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 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine