Compound Detail
CHEMBL1835581
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Basic Information
| ChEMBL ID | CHEMBL1835581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFIALVSRBPCDMI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.86
ALogP
4
HBA
1
HBD
52.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase CHEMBL1795200 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP pro... | 21903402 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of His6-tagged Escherichia coli DH5alpha CDP-ME kinase assessed as AD... | 21903402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21903402 | 10.1016/j.bmc.2011.08.012 | Unchecked | 2 |
| 21903402 | 10.1016/j.bmc.2011.08.012 | Galactokinase | 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