Compound Detail
CHEMBL1081561
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Basic Information
| ChEMBL ID | CHEMBL1081561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYKYTDOMNQHWOH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.92
ALogP
8
HBA
1
HBD
90.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Deoxycytidine kinase CHEMBL2447 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | IC50 | = | 38.0 | nM | 7.42 | Inhibition of human dCK | 19836229 |
| Deoxycytidine kinase | EC50 | = | 700.0 | nM | 6.16 | Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosphorylat... | 19836229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19836229 | 10.1016/j.bmcl.2009.09.082 | Deoxycytidine kinase | 2 |
Data from ChEMBL 36 via Core Engine