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Compound Detail

CHEMBL3410326

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CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)C(CCC(=O)NO)c1ccc(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410326
Phase Preclinical
Structure Type MOL
InChI Key YHAHWWBLUTWEFV-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

555.5
MW (Da)
5.34
ALogP
11
HBA
2
HBD
155.9
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32F2NO11P
MW 555.46
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.32

Activity Summary

IC50 3 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.05 7.4867 9.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 9.0 nM 8.05 Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmod... 25633870
Plasmodium falciparum IC50 = 39.0 nM 7.41 Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... 25633870
Plasmodium falciparum IC50 = 100.0 nM 7.0 Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... 25633870

Literature References

PubMed DOI Target Context # Activities
25633870 10.1021/jm5019719 Plasmodium falciparum 3
25633870 10.1021/jm5019719 Unchecked 1

Data from ChEMBL 36 via Core Engine