Compound Detail
CHEMBL5618666
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COc1cc(C(O)P(=O)(N(C)C)N(C)C)ccc1OCCOc1ccc(C(O)P(=O)(N(C)C)N(C)C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5618666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLAYFBNOPWLFEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
3.78
ALogP
8
HBA
2
HBD
124.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.26 | 5.26 | 5543.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 5543.0 | nM | 5.26 | 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