Compound Detail
CHEMBL3143685
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Basic Information
| ChEMBL ID | CHEMBL3143685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXGTYHLMWACQAG-IVZWLZJFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
-0.47
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL4022 | Ki | 4.44 | 4.345 | 36000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | Ki | = | 36000.0 | nM | 4.44 | Competitive inhibition against rat cytoplasmic thymidine kinase | 7097717 |
| Thymidine kinase, cytosolic | Ki | = | 56000.0 | nM | 4.25 | Competitive inhibition against rat Mitochondrial thymidine kinase | 7097717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3497272 | 10.1021/jm00391a003 | MT4 | 6 |
| 7097717 | 10.1021/jm00348a007 | Unchecked | 3 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase, cytosolic | 3 |
| 3497272 | 10.1021/jm00391a003 | ATH-8 cell line | 2 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine