Compound Detail
CHEMBL392675
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Basic Information
| ChEMBL ID | CHEMBL392675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAJVNOTWGCCPRB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
-1.38
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.05 | 5.025 | 9000.0 | 2 |
| NCI-H460 CHEMBL396 | IC50 | 4.02 | 4.02 | 95100.0 | 1 |
| SF-268 CHEMBL613977 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human FPPS | 17963374 |
| Farnesyl pyrophosphate synthase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human FPPS | 17963374 |
| NCI-H460 | IC50 | = | 95100.0 | nM | 4.02 | Growth inhibition of human NCI-H460 cells after 4 days by MTT assay | 17963374 |
| SF-268 | IC50 | = | 100000.0 | nM | 4.0 | Growth inhibition of human SF268 cells after 4 days by MTT assay | 17963374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17963374 | 10.1021/jm700991k | Farnesyl pyrophosphate synthase | 2 |
| 17963374 | 10.1021/jm700991k | NCI-H460 | 1 |
| 17963374 | 10.1021/jm700991k | MCF7 | 1 |
| 17963374 | 10.1021/jm700991k | SF-268 | 1 |
Data from ChEMBL 36 via Core Engine