Compound Detail
CHEMBL1258237
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Basic Information
| ChEMBL ID | CHEMBL1258237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJIJNEWZNKZQQN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
2.59
ALogP
10
HBA
0
HBD
83.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.36 | 6.23 | 440.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 440.0 | nM | 6.36 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 20822904 |
| Plasmodium falciparum | EC50 | = | 790.0 | nM | 6.1 | Antimalarial activity against Plasmodium falciparum Dd2 infected in human erythr... | 20822904 |
| HEK293 | EC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against HEK293 cells | 20822904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20822904 | 10.1016/j.bmcl.2010.08.065 | Plasmodium falciparum | 2 |
| 20822904 | 10.1016/j.bmcl.2010.08.065 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine