Compound Detail
CHEMBL457424
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Basic Information
| ChEMBL ID | CHEMBL457424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGHPTTVGCUEGGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.1
MW (Da)
-0.49
ALogP
6
HBA
4
HBD
158.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.41 | 6.41 | 388.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 388.2 | nM | 6.41 | Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) | 18937434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18937434 | 10.1021/jm801003y | Unchecked | 1 |
| 18937434 | 10.1021/jm801003y | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine