Compound Detail
CHEMBL5549952
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Basic Information
| ChEMBL ID | CHEMBL5549952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMSABXWDTDDUPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.40
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uridine diphosphate glucose pyrophosphatase NUDT14 CHEMBL4105943 | IC50 | 6.58 | 6.58 | 263.0 | 1 |
| ADP-sugar pyrophosphatase CHEMBL4105713 | IC50 | 6.31 | 6.31 | 487.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uridine diphosphate glucose pyrophosphatase NUDT14 | IC50 | = | 263.0 | nM | 6.58 | Antagonist activity at N-terminal his6-tagged human recombinant NUDT14 (1 to 222... | 38635563 |
| ADP-sugar pyrophosphatase | IC50 | = | 487.0 | nM | 6.31 | Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 ... | 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