Compound Detail
CHEMBL3262112
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Basic Information
| ChEMBL ID | CHEMBL3262112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNXHXHNLBRPTML-AUWJEWJLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
4.62
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4800.0 | nM | 5.32 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24813880 |
| Unchecked | IC50 | = | 18600.0 | nM | 4.73 | Inhibition of Plasmodium falciparum falcipain-2 | 24813880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 3 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Plasmodium falciparum | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine