Compound Detail
CHEMBL4448755
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Basic Information
| ChEMBL ID | CHEMBL4448755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBQQKGPZHWEDJM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.33
ALogP
2
HBA
2
HBD
71.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escheric... | 31077996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31077996 | 10.1016/j.ejmech.2019.04.037 | Oxidized purine nucleoside triphosphate hydrolase | 2 |
Data from ChEMBL 36 via Core Engine