Compound Detail
CHEMBL1081350
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Basic Information
| ChEMBL ID | CHEMBL1081350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDEIPIHLEBSLGL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.50
ALogP
8
HBA
1
HBD
99.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.58
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Deoxycytidine kinase CHEMBL2447 | EC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human dCK | 19836229 |
| Deoxycytidine kinase | EC50 | = | 26.0 | nM | 7.58 | 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