Compound Detail
CHEMBL2426588
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2426588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKVXVGPJAGIJNR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.72
ALogP
9
HBA
2
HBD
109.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Ki 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Deoxycytidine kinase CHEMBL2447 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Deoxycytidine kinase CHEMBL2570 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | Ki | = | 9.5 | nM | 8.02 | Inhibition of dCK (unknown origin) by steady-state kinetic assay | 23947754 |
| Deoxycytidine kinase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated de... | 23947754 |
| Deoxycytidine kinase | IC50 | = | 35.0 | nM | 7.46 | 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 | 3 |
Data from ChEMBL 36 via Core Engine