Compound Detail
CHEMBL3800544
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Basic Information
| ChEMBL ID | CHEMBL3800544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFNFWLGWPXLXQW-NFNBNWGISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
-0.05
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7700.0 | nM | 5.11 | Antimalarial activity against erythrocytic stage of Plasmodium falciparum K1 aft... | 27156774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Plasmodium falciparum | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | L6 | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine