Compound Detail
CHEMBL259729
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Basic Information
| ChEMBL ID | CHEMBL259729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKUBJNUBGKBXKR-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.2
MW (Da)
-0.48
ALogP
4
HBA
6
HBD
147.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.86
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 8.8 | 7.83 | 1.6 | 2 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.86 | 7.045 | 13.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 1.6 | nM | 8.8 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 13.7 | nM | 7.86 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | Ki | = | 136.7 | nM | 6.86 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 591.6 | nM | 6.23 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18327899 | 10.1021/jm7015733 | Farnesyl pyrophosphate synthase | 4 |
| 18327899 | 10.1021/jm7015733 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine