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Compound Detail

CHEMBL261371

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CC(=O)N(O)CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261371
Phase Preclinical
Structure Type MOL
InChI Key TVCNRGWFGAUOTR-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
2.93
ALogP
9
HBA
1
HBD
128.7
PSA (Ų)
0.18
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H32NO9P
MW 425.42
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.37

Activity Summary

IC50 5 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.55 7.104 28.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 28.0 nM 7.55 Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmod... 25633870
Plasmodium falciparum IC50 = 41.0 nM 7.39 Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... 25633870
Plasmodium falciparum IC50 = 98.0 nM 7.01 Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasm... 25633870
Plasmodium falciparum IC50 = 99.0 nM 7.0 Antimalarial activity against Plasmodium falciparum 3D7 in infected human erythr... 18158249
Plasmodium falciparum IC50 = 272.0 nM 6.57 Antimalarial activity against chloroquine and mefloquine-resistant Plasmodium fa... 25881827

Literature References

PubMed DOI Target Context # Activities
25633870 10.1021/jm5019719 Plasmodium falciparum 3
22024034 10.1016/j.bmcl.2011.09.123 Escherichia coli 2
22024034 10.1016/j.bmcl.2011.09.123 Staphylococcus aureus 2
18158249 10.1016/j.bmc.2007.12.001 Unchecked 1
18158249 10.1016/j.bmc.2007.12.001 Plasmodium falciparum 1
22024034 10.1016/j.bmcl.2011.09.123 Acinetobacter 1
22024034 10.1016/j.bmcl.2011.09.123 Mycobacterium tuberculosis 1
22024034 10.1016/j.bmcl.2011.09.123 Enterococcus faecalis 1
22024034 10.1016/j.bmcl.2011.09.123 Bacillus anthracis 1
25881827 10.1016/j.bmcl.2015.03.077 Plasmodium falciparum 1
25633870 10.1021/jm5019719 Unchecked 1

Data from ChEMBL 36 via Core Engine