Compound Detail
CHEMBL2017476
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=C(CCCCCCCCCC[P+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL2017476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVIGUDIVAZTWHC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
11.51
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.67 | 6.67 | 212.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 212.0 | nM | 6.67 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human eryth... | 22414614 |
| Trypanosoma cruzi | IC50 | = | 3700.0 | nM | 5.43 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 infected in afric... | 22414614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Vero | 3 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Plasmodium falciparum | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Trypanosoma cruzi | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine