Compound Detail
CHEMBL4080322
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Basic Information
| ChEMBL ID | CHEMBL4080322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POFFAKHAWVMNIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.04
ALogP
7
HBA
1
HBD
94.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapt... | 28655422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28655422 | 10.1016/j.bmcl.2017.06.039 | dCTP pyrophosphatase 1 | 2 |
Data from ChEMBL 36 via Core Engine