Compound Detail
CHEMBL4463391
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Basic Information
| ChEMBL ID | CHEMBL4463391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKMWVRXJFLQNGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.87
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 81.0 | nM | 7.09 | 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 | ADMET | 2 |
| 32184970 | 10.1021/acsmedchemlett.9b00420 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
| 32184970 | 10.1021/acsmedchemlett.9b00420 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine