Compound Detail
CHEMBL102454
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Basic Information
| ChEMBL ID | CHEMBL102454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONVNQSRFNPYKEL-IYSWYEEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
275.1
MW (Da)
1.00
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 5000.0 | nM | 5.3 | Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacteri... | 12941330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941330 | 10.1016/s0960-894x(03)00643-7 | Thymidylate kinase | 1 |
Data from ChEMBL 36 via Core Engine