Compound Detail
CHEMBL3099640
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Basic Information
| ChEMBL ID | CHEMBL3099640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXMDJNLGLHFIPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
518.8
MW (Da)
7.45
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit | IC50 | = | 200.0 | nM | 6.7 | Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit asses... | 24321833 |
| Proteasome component C5 | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed... | 24321833 |
| Proteasome Macropain subunit MB1 | IC50 | = | 1940.0 | nM | 5.71 | Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit ... | 24321833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24321833 | 10.1016/j.ejmech.2013.11.009 | HL-60 | 1 |
| 24321833 | 10.1016/j.ejmech.2013.11.009 | HEK293 | 1 |
| 24321833 | 10.1016/j.ejmech.2013.11.009 | Proteasome Macropain subunit MB1 | 1 |
| 24321833 | 10.1016/j.ejmech.2013.11.009 | Proteasome component C5 | 1 |
| 24321833 | 10.1016/j.ejmech.2013.11.009 | Proteasome Macropain subunit | 1 |
Data from ChEMBL 36 via Core Engine