Compound Detail
CHEMBL2023447
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Basic Information
| ChEMBL ID | CHEMBL2023447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKJGBJLEPUFWQT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.0
MW (Da)
7.32
ALogP
7
HBA
2
HBD
89.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.83 | 4.695 | 14828.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 14828.3 | nM | 4.83 | Antiplasmodial activity chloroquine-sensitive Plasmodium falciparum 3D7 infected... | 22459876 |
| Plasmodium falciparum | IC50 | = | 27320.9 | nM | 4.56 | Antiplasmodial activity chloroquine-resistant Plasmodium falciparum K1 infected ... | 22459876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22459876 | 10.1016/j.ejmech.2012.03.007 | Plasmodium falciparum | 3 |
| 22459876 | 10.1016/j.ejmech.2012.03.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine