Compound Detail
CHEMBL218681
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Basic Information
| ChEMBL ID | CHEMBL218681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOOUKPFYIIBAAD-SOFGYWHQSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
5.44
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.1 | 5.935 | 800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 800.0 | nM | 6.1 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 1700.0 | nM | 5.77 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Mus musculus | 1 |
| 16908136 | 10.1016/j.bmcl.2006.08.009 | ADMET | 1 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine