Compound Detail
CHEMBL1160814
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1160814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJPWXRDQGVJJPT-BFHYXJOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
-0.11
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 28000.0 | nM | 4.55 | 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