Compound Detail
CHEMBL199439
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Basic Information
| ChEMBL ID | CHEMBL199439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDUHURJOFQCYGZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
0.26
ALogP
4
HBA
6
HBD
147.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL3693 | IC50 | 6.64 | 6.64 | 228.0 | 2 |
| Dictyostelium discoideum CHEMBL612373 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 228.0 | nM | 6.64 | Inhibitory activity against FPPS in Leishmania major | 16392806 |
| Farnesyl pyrophosphate synthase | IC50 | = | 229.09 | nM | 6.64 | Inhibitory activity against FPPS in Leishmania major | 16392806 |
| Dictyostelium discoideum | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity to Dictyostelium discoideum | 16392806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 16392806 | 10.1021/jm0582625 | Farnesyl pyrophosphate synthase | 2 |
| 16392806 | 10.1021/jm0582625 | KB | 1 |
| 16392806 | 10.1021/jm0582625 | ADMET | 1 |
| 16392806 | 10.1021/jm0582625 | Dictyostelium discoideum | 1 |
Data from ChEMBL 36 via Core Engine