Compound Detail
CHEMBL375618
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Basic Information
| ChEMBL ID | CHEMBL375618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWHWIHWMWZQYFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.1
MW (Da)
0.44
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl diphosphate synthase CHEMBL1075078 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl diphosphate synthase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Escherichia coli FPPS | 17149863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149863 | 10.1021/jm060492b | Escherichia coli | 3 |
| 17149863 | 10.1021/jm060492b | Farnesyl diphosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine