Compound Detail
CHEMBL608526
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 | CHEMBL608526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFLYBLIUXCQDM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.1
MW (Da)
-2.25
ALogP
5
HBA
4
HBD
156.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.195 | 631.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.05 | 4.025 | 90000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 630.96 | nM | 6.2 | Inhibition of Plasmodium vivax FPPS expressed in Escherichia coli BL21 by spectr... | 19053772 |
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | Inhibition of Plasmodium vivax FPPS expressed in Escherichia coli BL21 by spectr... | 19053772 |
| Plasmodium falciparum | IC50 | = | 90000.0 | nM | 4.05 | Growth inhibition of Plasmodium falciparum | 19053772 |
| Plasmodium falciparum | IC50 | = | 100000.0 | nM | 4.0 | Growth inhibition of Plasmodium falciparum | 19053772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053772 | 10.1021/jm8009074 | Unchecked | 2 |
| 19053772 | 10.1021/jm8009074 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine