Compound Detail
CHEMBL4090167
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Basic Information
| ChEMBL ID | CHEMBL4090167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYKRLVOVLULTHW-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.83
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.4 | 5.255 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escheric... | 28208018 |
| Farnesyl pyrophosphate synthase | IC50 | = | 7700.0 | nM | 5.11 | Allosteric inhibition of N-terminal His-tagged human FPPS expressed in Escherich... | 31577901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28208018 | 10.1021/acs.jmedchem.6b01888 | Farnesyl pyrophosphate synthase | 1 |
| 31577901 | 10.1021/acs.jmedchem.9b01104 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine