Compound Detail
CHEMBL5561533
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Basic Information
| ChEMBL ID | CHEMBL5561533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQQOFBWNXPTVPQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
1.48
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uridine diphosphate glucose pyrophosphatase NUDT14 CHEMBL4105943 | IC50 | 5.43 | 5.43 | 3720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uridine diphosphate glucose pyrophosphatase NUDT14 | IC50 | = | 3720.0 | nM | 5.43 | Antagonist activity at N-terminal his6-tagged human recombinant NUDT14 (1 to 222... | 38635563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38635563 | 10.1021/acs.jmedchem.4c00072 | ADP-sugar pyrophosphatase | 1 |
| 38635563 | 10.1021/acs.jmedchem.4c00072 | Uridine diphosphate glucose pyrophosphatase NUDT14 | 1 |
Data from ChEMBL 36 via Core Engine