Compound Detail
CHEMBL340034
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Basic Information
| ChEMBL ID | CHEMBL340034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVARJRDCUIDTGY-UHFFFAOYSA-O |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.1
MW (Da)
-1.70
ALogP
3
HBA
6
HBD
155.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.96
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.96 | 6.96 | 109.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.21 | 5200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopenteny... | 14613320 |
| Farnesyl pyrophosphate synthase | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against farnesyl Pyrophosphate Synthase was determined | 14613320 |
| Farnesyl pyrophosphate synthase | IC50 | = | 109.65 | nM | 6.96 | Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? ... | 14613320 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... | 14711309 |
| Unchecked | IC50 | = | 5248.07 | nM | 5.28 | pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using i... | 14711309 |
| Unchecked | IC50 | = | 7300.0 | nM | 5.14 | Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... | 14711309 |
| Unchecked | IC50 | = | 7244.36 | nM | 5.14 | pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a... | 14711309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711309 | 10.1021/jm0303709 | Unchecked | 4 |
| 14613320 | 10.1021/jm0302344 | Farnesyl pyrophosphate synthase | 3 |
Data from ChEMBL 36 via Core Engine