Compound Detail
CHEMBL2048239
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Basic Information
| ChEMBL ID | CHEMBL2048239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILDQYPKLOXAUMC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
1.80
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escheri... | 22390415 |
| Farnesyl pyrophosphate synthase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli B... | 22884353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22390415 | 10.1021/jm201657x | Farnesyl pyrophosphate synthase | 2 |
| 22884353 | 10.1016/j.bmc.2012.07.019 | Farnesyl pyrophosphate synthase | 1 |
| 22884353 | 10.1016/j.bmc.2012.07.019 | Geranylgeranyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine