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Compound Detail

CHEMBL5619992

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COC(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL5619992
Phase Preclinical
Structure Type MOL
InChI Key YDHUWNKEIONDLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
4.16
ALogP
7
HBA
0
HBD
70.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F2N4O3
MW 412.40
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium
CHEMBL4888483
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium IC50 = 110.0 nM 6.96 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