Compound Detail
CHEMBL4279995
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Basic Information
| ChEMBL ID | CHEMBL4279995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLFUFEIFAJXIDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
0.43
ALogP
6
HBA
6
HBD
173.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escheri... | 30216851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30216851 | 10.1016/j.ejmech.2018.08.044 | Farnesyl pyrophosphate synthase | 3 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | J774.A1 | 2 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | RAW264.7 | 2 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | MG-63 | 2 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | PC-3 | 2 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | Geranylgeranyl pyrophosphate synthase | 2 |
| 30216851 | 10.1016/j.ejmech.2018.08.044 | Hydroxyapatite | 1 |
Data from ChEMBL 36 via Core Engine