Compound Detail
CHEMBL4452041
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Basic Information
| ChEMBL ID | CHEMBL4452041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LODWETPPHNUHOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
1.98
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 6.03 | 6.03 | 936.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 936.0 | nM | 6.03 | Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia c... | 32184970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184970 | 10.1021/acsmedchemlett.9b00420 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
Data from ChEMBL 36 via Core Engine