Compound Detail
CHEMBL490829
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Basic Information
| ChEMBL ID | CHEMBL490829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWPWHHUJACGNMZ-NUMRIWBASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-0.57
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.54 | 6.26 | 29.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29.0 | nM | 7.54 | Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes | 18801655 |
| Unchecked | IC50 | = | 690.0 | nM | 6.16 | Inhibition of trypsin-like activity of 20S proteasome in human erythrocytes | 18801655 |
| Unchecked | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of PGPH catalytic activity of 20S proteasome in human erythrocytes | 18801655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18801655 | 10.1016/j.bmcl.2008.08.073 | Unchecked | 3 |
| 18801655 | 10.1016/j.bmcl.2008.08.073 | HeLa | 1 |
| 18801655 | 10.1016/j.bmcl.2008.08.073 | Proteasome Macropain subunit | 1 |
| 18801655 | 10.1016/j.bmcl.2008.08.073 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine