Compound Detail
CHEMBL3087933
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Basic Information
| ChEMBL ID | CHEMBL3087933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVARWOQWESGDHU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.3
MW (Da)
2.42
ALogP
7
HBA
5
HBD
162.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.82 | 7.09 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated fo... | 23998921 |
| Farnesyl pyrophosphate synthase | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated fo... | 23998921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23998921 | 10.1021/jm400946f | Farnesyl pyrophosphate synthase | 2 |
| 23998921 | 10.1021/jm400946f | Geranylgeranyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine