Compound Detail
CHEMBL408608
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Basic Information
| ChEMBL ID | CHEMBL408608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUCBNFJYKWKAMN-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
0.04
ALogP
4
HBA
5
HBD
139.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.99
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 9.0 | 8.03 | 1.0 | 2 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.99 | 7.13 | 10.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 1.0 | nM | 9.0 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 10.3 | nM | 7.99 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | Ki | = | 86.3 | nM | 7.06 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 540.8 | nM | 6.27 | 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