Compound Detail
CHEMBL446734
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Basic Information
| ChEMBL ID | CHEMBL446734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBSQLNMIJFINOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.1
MW (Da)
-0.44
ALogP
4
HBA
4
HBD
132.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 8.04 | 8.04 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 9.03 | nM | 8.04 | Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) | 18937434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18937434 | 10.1021/jm801003y | BT-549 | 3 |
| 18937434 | 10.1021/jm801003y | Unchecked | 2 |
| 18937434 | 10.1021/jm801003y | K562 | 2 |
| 18937434 | 10.1021/jm801003y | HuT78 | 1 |
| 18937434 | 10.1021/jm801003y | CCRF-CEM | 1 |
| 18937434 | 10.1021/jm801003y | ADMET | 1 |
| 18937434 | 10.1021/jm801003y | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine