Compound Detail
CHEMBL3314098
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Basic Information
| ChEMBL ID | CHEMBL3314098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWARKPAWPYGVBI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.23
ALogP
5
HBA
2
HBD
105.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of FPPS (unknown origin) | 24811300 |
| Farnesyl pyrophosphate synthase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant human N- terminal His6-tagged FPPS expressed in Escher... | 34236862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24811300 | 10.1016/j.bmc.2014.04.019 | Farnesyl pyrophosphate synthase | 1 |
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine