Compound Detail
CHEMBL324003
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Basic Information
| ChEMBL ID | CHEMBL324003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKLPPRTPHAGFK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.2
MW (Da)
2.03
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 5.73 | 5.73 | 1880.0 | 1 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 4.71 | 4.71 | 19730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 1880.0 | nM | 5.73 | Binding affinity towards Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFP... | 12951099 |
| Farnesyl pyrophosphate synthase | IC50 | = | 19730.0 | nM | 4.71 | Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase | 12951099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951099 | 10.1016/s0960-894x(03)00663-2 | Trypanosoma cruzi | 3 |
| 12951099 | 10.1016/s0960-894x(03)00663-2 | Farnesyl pyrophosphate synthase | 2 |
Data from ChEMBL 36 via Core Engine