Compound Detail
CHEMBL520146
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Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(Cc2ccccc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL520146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNEMCLZXTHLYHS-IXYNUQLISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
-1.02
ALogP
8
HBA
3
HBD
113.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 75000.0 | nM | 4.12 | Inhibition of Mycobacterium tuberculosis recombinant TMPK | 18467107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18467107 | 10.1016/j.bmc.2008.04.045 | Thymidylate kinase | 1 |
Data from ChEMBL 36 via Core Engine