Compound Detail
CHEMBL2431814
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Basic Information
| ChEMBL ID | CHEMBL2431814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QILPQTNRAWRWDR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.51
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.52 | 7.35 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against Plasmodium falciparum after 72 hrs by MSF assay | 23927720 |
| Plasmodium falciparum | EC50 | = | 66.0 | nM | 7.18 | Antiplasmodial activity against atovaquone-resistant Plasmodium falciparum Tm90.... | 23927720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23927720 | 10.1021/jm400314m | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine