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Compound Detail

CHEMBL5177110

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NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

Basic Information

ChEMBL ID CHEMBL5177110
Phase Preclinical
Structure Type MOL
InChI Key SESUZCWKFIVUFP-SECBINFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
3.26
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F6N2O
MW 324.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.84 5.84 1459.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1459.0 nM 5.84 Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 assessed a... 34782182

Literature References

PubMed DOI Target Context # Activities
34782182 10.1016/j.ejmech.2021.113981 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine