Compound Detail
CHEMBL2017319
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Cc1ccccc1[P+](CCCCCCCCCCN1C(=O)c2ccccc2C1=O)(c1ccccc1C)c1ccccc1C
Basic Information
| ChEMBL ID | CHEMBL2017319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCCVWENPRAHPAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
590.8
MW (Da)
8.32
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.84 | 6.84 | 143.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 143.4 | nM | 6.84 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human eryth... | 22414614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Plasmodium falciparum | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine