Compound Detail
CHEMBL317573
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Basic Information
| ChEMBL ID | CHEMBL317573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBALRBOBYFLYPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.1
MW (Da)
0.11
ALogP
4
HBA
5
HBD
148.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.2 | 6.2 | 629.5 | 1 |
| Dictyostelium discoideum CHEMBL612373 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 629.5 | nM | 6.2 | Inhibition of human FPPS | 18434151 |
| Dictyostelium discoideum | IC50 | = | 36000.0 | nM | 4.44 | Ability to inhibit growth of Dictostelium discoideum. | 12086477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086477 | 10.1021/jm010279+ | Rattus norvegicus | 1 |
| 12086477 | 10.1021/jm010279+ | Dictyostelium discoideum | 1 |
| 18434151 | 10.1016/j.bmcl.2008.03.088 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine