Compound Detail
CHEMBL5425377
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Basic Information
| ChEMBL ID | CHEMBL5425377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSWIFYBYLNQSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.1
MW (Da)
1.50
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of AspH (unknown origin) by SPE-MS analysis | 37527664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Bifunctional peptidase and arginyl-hydroxylase JMJD5 | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Lysine-specific demethylase 4E | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Aspartyl/asparaginyl beta-hydroxylase | 1 |
Data from ChEMBL 36 via Core Engine