Compound Detail
CHEMBL4204469
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
Basic Information
| ChEMBL ID | CHEMBL4204469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTSYIEVNASGSBC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
3.81
ALogP
3
HBA
3
HBD
69.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell cycle histidine kinase CckA CHEMBL4295627 | IC50 | 4.47 | 4.47 | 33600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell cycle histidine kinase CckA | IC50 | = | 33600.0 | nM | 4.47 | Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase Cck... | 29110989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Virulence sensor histidine kinase PhoQ | 2 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Histidine protein kinase DivJ | 2 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Cell cycle histidine kinase CckA | 2 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Erythrocyte | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Escherichia coli | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Bacillus subtilis | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Caulobacter vibrioides | 1 |
Data from ChEMBL 36 via Core Engine