Compound Detail
CHEMBL4213140
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CC(=O)N(C/C=C/P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL4213140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXCZJHIJUJHLOL-MHWRWJLKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.6
MW (Da)
5.95
ALogP
9
HBA
0
HBD
117.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.3 | 4.3 | 50500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50500.0 | nM | 4.3 | Growth inhibition of Plasmodium falciparum 3D7 asynchronous cultures by PicoGree... | 30192536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30192536 | 10.1021/acs.jmedchem.8b01026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine