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Compound Detail

CHEMBL3137625

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N#Cc1ccc(-c2nnc3cncc(OCC(OC(F)F)c4ccc(F)c(F)c4)n23)cc1

Basic Information

ChEMBL ID CHEMBL3137625
Phase Preclinical
Structure Type MOL
InChI Key LHSRVKYAEUESTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.30
ALogP
7
HBA
0
HBD
85.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13F4N5O2
MW 443.36
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.63

Activity Summary

EC50 1 meas. best 7.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 7.78 7.78 16.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 16.68 nM 7.78 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