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Compound Detail

CHEMBL3137626

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FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5ccccc5c4)n23)cc1

Basic Information

ChEMBL ID CHEMBL3137626
Phase Preclinical
Structure Type MOL
InChI Key OICXVTBHLZSJIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
5.34
ALogP
6
HBA
0
HBD
61.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14F2N4O2
MW 404.38
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 6.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.94 6.94 114.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 114.7 nM 6.94 OSM: Erythrocyte assay. NF54 with 3H-Hypoxanthine at 72hr time point. -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3137547 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine