Compound Detail
CHEMBL5219233
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Basic Information
| ChEMBL ID | CHEMBL5219233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEXKTVQQVHUAAR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.49
ALogP
3
HBA
2
HBD
71.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.47 | 5.36 | 3400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3400.0 | nM | 5.47 | Antiplasmodial activity against chloroquine-sensitive asexual blood stage Plasmo... | 33666415 |
| Plasmodium falciparum | IC50 | = | 5600.0 | nM | 5.25 | Antiplasmodial activity against multidrug resistant asexual blood stage Plasmodi... | 33666415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33666415 | 10.1021/acs.jmedchem.0c01744 | Plasmodium falciparum | 2 |
| 33666415 | 10.1021/acs.jmedchem.0c01744 | HepG2 | 1 |
| 33666415 | 10.1021/acs.jmedchem.0c01744 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine