Compound Detail
CHEMBL3229812
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Basic Information
| ChEMBL ID | CHEMBL3229812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPXGLDYWMZUND-KXUCPTDWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
0.25
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL3227916 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | Ki | = | 12000.0 | nM | 4.92 | Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine ... | 458818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 458818 | 10.1021/jm00192a005 | Thymidine kinase, cytosolic | 3 |
| 395303 | 10.1021/jm00198a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine