Compound Detail
CHEMBL3299149
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Basic Information
| ChEMBL ID | CHEMBL3299149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFXYHQNXBPLXID-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.61
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.92 | 5.86 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 1200.0 | nM | 5.92 | Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substra... | 24911527 |
| Farnesyl pyrophosphate synthase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escheric... | 28208018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24911527 | 10.1021/jm500629e | Farnesyl pyrophosphate synthase | 2 |
| 28208018 | 10.1021/acs.jmedchem.6b01888 | Farnesyl pyrophosphate synthase | 2 |
| 24911527 | 10.1021/jm500629e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine