Compound Detail
CHEMBL4212002
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Basic Information
| ChEMBL ID | CHEMBL4212002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVUHOLFEFWXMES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
5.60
ALogP
5
HBA
1
HBD
42.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 240.0 | nM | 6.62 | Antimalarial activity against Plasmodium falciparum 3D7 infected in ARh+ human e... | 29042223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29042223 | 10.1016/j.bmc.2017.10.004 | Plasmodium falciparum | 5 |
Data from ChEMBL 36 via Core Engine