Compound Detail
CHEMBL4874588
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Basic Information
| ChEMBL ID | CHEMBL4874588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBMAEBPZXXNKMZ-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
0.54
ALogP
3
HBA
4
HBD
91.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase CHEMBL3091270 | Kd | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | Kd | = | 64000.0 | nM | 4.19 | Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isother... | 34298132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298132 | 10.1016/j.bmcl.2021.128273 | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | 4 |
Data from ChEMBL 36 via Core Engine