Compound Detail
CHEMBL4846803
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4846803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQBKUDANOYJXEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
3.27
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3150.0 | nM | 5.5 | Inhibition of recombinant Plasmodium falciparum N-terminal His6-tagged GGPPS exp... | 33766764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33766764 | 10.1016/j.bmcl.2021.127978 | Unchecked | 1 |
| 33766764 | 10.1016/j.bmcl.2021.127978 | Geranylgeranyl pyrophosphate synthase | 1 |
| 33766764 | 10.1016/j.bmcl.2021.127978 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine