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Compound Detail

CHEMBL1532367

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CCOC(=O)CCn1cc(F)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1532367
Phase Preclinical
Structure Type MOL
InChI Key UDVJIFZOVKMZTR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-0.37
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11FN2O4
MW 230.19
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.57 7.36 26.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4888484 Plasmodium falciparum 8
- 10.6019/CHEMBL4888484 HepG2 1

Data from ChEMBL 36 via Core Engine