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Compound Detail

CHEMBL5618127

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FC(F)Oc1ccc(-c2nnc3cncc(OCCCC(F)(F)F)n23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5618127
Phase Preclinical
Structure Type MOL
InChI Key NEHPONFBYDMCQQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
4.11
ALogP
6
HBA
0
HBD
61.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F5N4O2
MW 388.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium
CHEMBL4888483
 IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium IC50 = 410.0 nM 6.39 Antiplasmodial activity against Plasmodium 39291016

Literature References

PubMed DOI Target Context # Activities
39291016 10.1021/acsmedchemlett.4c00131 Plasmodium 1

Data from ChEMBL 36 via Core Engine