Compound Detail
CHEMBL375569
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Basic Information
| ChEMBL ID | CHEMBL375569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJOHDYKWJQAIML-FDDDBJFASA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
-1.38
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 5.46 | 5.46 | 3500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 3500.0 | nM | 5.46 | Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assa... | 15566289 |
| Thymidylate kinase | Ki | = | 3500.0 | nM | 5.46 | Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase by enzym... | 23199481 |
| Thymidylate kinase | Ki | = | 3500.0 | nM | 5.46 | Inhibition of Mycobacterium tuberculosis TMPK assessed as inhibition constant by... | 36459759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566289 | 10.1021/jm040847w | Thymidylate kinase | 2 |
| 15566289 | 10.1021/jm040847w | Unchecked | 1 |
| 23199481 | 10.1016/j.bmc.2012.10.018 | Thymidylate kinase | 1 |
| 36459759 | 10.1016/j.ejmech.2022.114946 | Thymidylate kinase | 1 |
| 36459759 | 10.1016/j.ejmech.2022.114946 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine