Compound Detail
CHEMBL3128253
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Basic Information
| ChEMBL ID | CHEMBL3128253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHMVIOWJEDISGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.19
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of 20s constitutive proteasome beta 1 subunit caspase-like activity i... | 24534487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Unchecked | 3 |
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Cathepsin B | 1 |
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Calpain-1 catalytic subunit | 1 |
| 31740051 | 10.1016/j.ejmech.2019.111855 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine