Compound Detail
CHEMBL4782875
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Basic Information
| ChEMBL ID | CHEMBL4782875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQAKUEMIJABYHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
1.29
ALogP
4
HBA
6
HBD
147.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL2150832 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 86.0 | nM | 7.07 | Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL... | 32979487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32979487 | 10.1016/j.bmcl.2020.127577 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine