Compound Detail
CHEMBL2419643
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Basic Information
| ChEMBL ID | CHEMBL2419643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGQRAUNUQWVURP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040960 |
| Active Moiety | CHEMBL3040960 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.67
ALogP
1
HBA
2
HBD
31.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.85 | 5.825 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1400.0 | nM | 5.85 | Antimalarial activity against Plasmodium falciparum 3D7 infected in RBC assessed... | 23837878 |
| Plasmodium falciparum | IC50 | = | 1600.0 | nM | 5.8 | Antimalarial activity against Plasmodium falciparum K1 infected in RBC assessed ... | 23837878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23837878 | 10.1021/jm400656s | Plasmodium falciparum | 2 |
| 23837878 | 10.1021/jm400656s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine