Compound Detail
CHEMBL1081903
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Basic Information
| ChEMBL ID | CHEMBL1081903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICZHFMLNDKXYSL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
2.85
ALogP
10
HBA
1
HBD
132.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxycytidine kinase CHEMBL2447 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Deoxycytidine kinase CHEMBL2447 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 45998.43 | ng.hr.mL-1 | Mus musculus |
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
| F | 100.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human dCK | 19836229 |
| Deoxycytidine kinase | EC50 | = | 2.0 | nM | 8.7 | 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 | Mus musculus | 8 |
| 19836229 | 10.1016/j.bmcl.2009.09.082 | Deoxycytidine kinase | 2 |
| 19836229 | 10.1016/j.bmcl.2009.09.082 | Homo sapiens | 1 |
| 19836229 | 10.1016/j.bmcl.2009.09.082 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine