Compound Detail
CHEMBL4100287
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Basic Information
| ChEMBL ID | CHEMBL4100287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFJMDFWPTAZKEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
-0.02
ALogP
8
HBA
1
HBD
96.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human dCTPase 1 | 28687206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28687206 | 10.1016/j.bmcl.2017.06.038 | dCTP pyrophosphatase 1 | 2 |
Data from ChEMBL 36 via Core Engine