Compound Detail
CHEMBL3781387
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Basic Information
| ChEMBL ID | CHEMBL3781387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTQHPLMDWAMNLZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.48
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | IC50 | = | 53.0 | nM | 7.28 | Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxod... | 26898335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26898335 | 10.1016/j.bmcl.2016.02.026 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
Data from ChEMBL 36 via Core Engine