Compound Detail
CHEMBL2088336
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Basic Information
| ChEMBL ID | CHEMBL2088336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYPRZOLXSMRMEV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
2.34
ALogP
5
HBA
5
HBD
149.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli B... | 22884353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22884353 | 10.1016/j.bmc.2012.07.019 | Farnesyl pyrophosphate synthase | 1 |
| 22884353 | 10.1016/j.bmc.2012.07.019 | Geranylgeranyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine