Compound Detail
CHEMBL194557
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Basic Information
| ChEMBL ID | CHEMBL194557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLIREHXMRXKQIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.1
MW (Da)
-0.25
ALogP
3
HBA
5
HBD
141.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 4.51 | 4.51 | 30770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 30770.0 | nM | 4.51 | Inhibitory concentration against Trypanosoma cruzi farnesyl pyrophosphate syntha... | 16143525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143525 | 10.1016/j.bmcl.2005.07.060 | Trypanosoma cruzi | 2 |
| 16143525 | 10.1016/j.bmcl.2005.07.060 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine