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Compound Detail

CHEMBL2113976

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CNC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113976
Phase Preclinical
Structure Type MOL
InChI Key FXSYKCLPBZPYNU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
2.14
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.88
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 C16H17FN2O3
MW 304.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.03 5.03 9400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 9400.0 nM 5.03 OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2113921 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine