Compound Detail
CHEMBL2325756
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
CCOC(=O)[C@H](C)NP(=O)(CCOCCn1cnc2c(=O)[nH]c(N)nc21)N[C@@H](C)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL2325756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIWWJMKPUVMWEV-STQMWFEESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
-0.01
ALogP
11
HBA
4
HBD
192.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.38 | 4.35 | 42000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 42000.0 | nM | 4.38 | Antimalarial activity against wild type early trophozoite stage of Plasmodium fa... | 23448281 |
| Plasmodium falciparum | IC50 | = | 48000.0 | nM | 4.32 | Antimalarial activity against chloroquine and pyrimethamine-resistant early trop... | 23448281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23448281 | 10.1021/jm301893b | Plasmodium falciparum | 2 |
| 23448281 | 10.1021/jm301893b | ADMET | 1 |
| 23448281 | 10.1021/jm301893b | C32 | 1 |
| 23448281 | 10.1021/jm301893b | A549 | 1 |
Data from ChEMBL 36 via Core Engine