Compound Detail
CHEMBL2426598
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Basic Information
| ChEMBL ID | CHEMBL2426598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLYJASYJWHXVPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.98
ALogP
9
HBA
2
HBD
109.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Deoxycytidine kinase CHEMBL2570 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated de... | 23947754 |
| Deoxycytidine kinase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxy... | 23947754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23947754 | 10.1021/jm400457y | Deoxycytidine kinase | 2 |
Data from ChEMBL 36 via Core Engine