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Compound Detail

CHEMBL5620163

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COC(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(OC(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5620163
Phase Preclinical
Structure Type MOL
InChI Key ONAORVFDMHSSPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
4.76
ALogP
8
HBA
0
HBD
80.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F4N4O4
MW 478.40
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium
CHEMBL4888483
 IC50 7.11 7.11 77.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium IC50 = 77.0 nM 7.11 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