Compound Detail
CHEMBL2426568
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Basic Information
| ChEMBL ID | CHEMBL2426568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFTDEMPMKXDHOK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.72
ALogP
9
HBA
3
HBD
120.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.73
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Deoxycytidine kinase CHEMBL2447 | IC50 | 7.73 | 7.68 | 18.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | Ki | = | 8.9 | nM | 8.05 | Apparent inhibition of human dCK by steady-state kinetic assay | 25341194 |
| Deoxycytidine kinase | IC50 | = | 18.62 | nM | 7.73 | Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated de... | 23947754 |
| Deoxycytidine kinase | IC50 | = | 18.6 | nM | 7.73 | Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC upta... | 25341194 |
| Deoxycytidine kinase | IC50 | = | 26.1 | nM | 7.58 | Apparent inhibition of human dCK assessed as phosphorylation activity by spectro... | 25341194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25341194 | 10.1021/jm501124j | Deoxycytidine kinase | 3 |
| 23947754 | 10.1021/jm400457y | Deoxycytidine kinase | 1 |
Data from ChEMBL 36 via Core Engine