Compound Detail
CHEMBL293116
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Basic Information
| ChEMBL ID | CHEMBL293116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPRZJIVPPUKPKR-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
0.50
ALogP
5
HBA
5
HBD
140.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.46 | 5.97 | 346.7 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.51 | 4.51 | 30920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 180.0 | nM | 6.75 | Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopenteny... | 14613320 |
| Farnesyl pyrophosphate synthase | IC50 | = | 346.74 | nM | 6.46 | Negative logarithm of inhibitory concentration against bone resorption | 12825934 |
| Farnesyl pyrophosphate synthase | IC50 | = | 1862.09 | nM | 5.73 | Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? ... | 14613320 |
| Farnesyl pyrophosphate synthase | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against farnesyl Pyrophosphate Synthase was determined | 14613320 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| HFF | IC50 | = | 30920.0 | nM | 4.51 | In vitro inhibitory concentration against the growth of Toxoplasma gondii in hum... | 15857119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613320 | 10.1021/jm0302344 | Farnesyl pyrophosphate synthase | 3 |
| 12825934 | 10.1021/jm030054u | Farnesyl pyrophosphate synthase | 2 |
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 12166945 | 10.1021/jm020819i | Rattus norvegicus | 1 |
| 15857119 | 10.1021/jm040132t | HFF | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine