Compound Detail
CHEMBL2391951
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Basic Information
| ChEMBL ID | CHEMBL2391951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITPJMQQQUKURHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.82
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 62000.0 | nM | 4.21 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive e... | 23659857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659857 | 10.1016/j.bmcl.2013.04.026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine