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Compound Detail

CHEMBL5619557

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O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5619557
Phase Preclinical
Structure Type MOL
InChI Key PJOLUEGNJQWULF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
3.92
ALogP
8
HBA
0
HBD
104.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F2N5O4
MW 427.37
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium
CHEMBL4888483
 IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium IC50 = 250.0 nM 6.6 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