Compound Detail
CHEMBL5408582
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CCON(C)C(=O)CCCP(=O)(OCOC(=O)c1cccc(O)c1O)OCOC(=O)c1cccc(O)c1O
Basic Information
| ChEMBL ID | CHEMBL5408582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYJBOEQCHLDYIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
2.85
ALogP
13
HBA
4
HBD
198.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1050.0 | nM | 5.98 | Antiplasmodial activity against asexual blood stage Plasmodium falciparum K1 ass... | 36399924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36399924 | 10.1016/j.ejmech.2022.114924 | Plasmodium falciparum | 1 |
| 36399924 | 10.1016/j.ejmech.2022.114924 | Mycobacterium tuberculosis | 1 |
| 36399924 | 10.1016/j.ejmech.2022.114924 | Acinetobacter baumannii | 1 |
| 36399924 | 10.1016/j.ejmech.2022.114924 | MRC5 | 1 |
| 36399924 | 10.1016/j.ejmech.2022.114924 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine