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Compound Detail

CHEMBL2325360

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N#Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL2325360
Phase Preclinical
Structure Type MOL
InChI Key OSEKWSGUKZKWSO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.2
MW (Da)
8.34
ALogP
3
HBA
2
HBD
74.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H11Cl2F6N3O2
MW 534.24
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.85

Activity Summary

EC50 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 7.12 7.005 75.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23313245 10.1016/j.bmcl.2012.12.022 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine