Compound Detail
CHEMBL493923
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 | CHEMBL493923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBPDTXHHGBVEIJ-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.92
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.32
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.32 | 5.32 | 4786.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.035 | 4786.0 | 2 |
| 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase CHEMBL1795200 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Galactokinase CHEMBL1293257 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 4786.0 | nM | 5.32 | FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 smal... | - |
| Unchecked | IC50 | = | 4786.0 | nM | 5.32 | The FP assay: The FP assay was then adapted for HTS and used to screen a 120,00... | - |
| Transthyretin | IC50 | = | 4786.0 | nM | 5.32 | Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... | - |
| 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP pro... | 21903402 |
| Galactokinase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human galactosidase after 30 mins by Kinase-GloTM assay | 22125663 |
| Unchecked | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of His6-tagged Escherichia coli DH5alpha CDP-ME kinase assessed as AD... | 21903402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 2 |
| 21903402 | 10.1016/j.bmc.2011.08.012 | Escherichia coli | 2 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
| 21903402 | 10.1016/j.bmc.2011.08.012 | Unchecked | 1 |
| 21903402 | 10.1016/j.bmc.2011.08.012 | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 1 |
| 22125663 | 10.1021/ml200131j | Galactokinase | 1 |
Data from ChEMBL 36 via Core Engine