Compound Detail
CHEMBL254284
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Basic Information
| ChEMBL ID | CHEMBL254284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QELOIXSGJMIHBZ-QZTJIDSGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.12
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosol aminopeptidase CHEMBL3965 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | Ki | 5.2 | 5.2 | 6270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosol aminopeptidase | Ki | = | 45.0 | nM | 7.35 | Inhibition of pig kidney cytosolic leucine aminopeptidase | 18262419 |
| Endoplasmic reticulum aminopeptidase 2 | Ki | = | 1030.0 | nM | 5.99 | Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
| Endoplasmic reticulum aminopeptidase 1 | Ki | = | 6270.0 | nM | 5.2 | Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18262419 | 10.1016/j.bmcl.2008.01.107 | Cytosol aminopeptidase | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 2 | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine