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Compound Detail

CHEMBL3137597

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Fc1ccc(CCOc2cncc3nnc(N4Cc5ccccc5C4)n23)cc1F

Basic Information

ChEMBL ID CHEMBL3137597
Phase Preclinical
Structure Type MOL
InChI Key JAQFKPHMBHLZPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.54
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F2N5O
MW 393.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.34

Activity Summary

EC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 470.0 nM 6.33 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