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Compound Detail

CHEMBL3137602

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FC(F)Oc1ccc(-c2nnc3cncc(CCCc4ccccc4)n23)cc1

Basic Information

ChEMBL ID CHEMBL3137602
Phase Preclinical
Structure Type MOL
InChI Key FVXHZUZPPRAVJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.57
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.47
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 C21H18F2N4O
MW 380.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 280.0 nM 6.55 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