Compound Detail
CHEMBL5619264
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COc1cc(C2SP(=S)(Sc3ccccc3)S2)ccc1OCCOc1ccc(C2SP(=S)(Sc3ccccc3)S2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5619264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVTFXVAOVKBEQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
771.0
MW (Da)
12.15
ALogP
12
HBA
0
HBD
36.9
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.47 | 5.47 | 3374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 3374.0 | nM | 5.47 | Inhibition of human recombinant FPPS using IPP as substrate preincubated with en... | 39018923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39018923 | 10.1016/j.ejmech.2024.116679 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine