Compound Detail
CHEMBL2017321
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
COc1ccc([P+](CCCCCCCCCCN2C(=O)c3ccccc3C2=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2017321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMTJYZSNDKGYOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
638.8
MW (Da)
7.42
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 134.0 | nM | 6.87 | 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