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Compound Detail

CHEMBL3769525

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O=C(Nc1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769525
Phase Preclinical
Structure Type MOL
InChI Key GZWUMNRTFYVRDT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.1
MW (Da)
4.92
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl2F2N2O
MW 317.12
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.16

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Schistosoma japonicum
CHEMBL612644
 IC50 5.66 5.495 2200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Schistosoma japonicum IC50 = 2200.0 nM 5.66 Antischistosomal activity against adult stage of Schistosoma japonicum after 72 ... 26856921
Schistosoma japonicum IC50 = 4700.0 nM 5.33 Antischistosomal activity against juvenile stage of Schistosoma japonicum after ... 26856921

Literature References

PubMed DOI Target Context # Activities
26856921 10.1016/j.bmcl.2016.01.075 Schistosoma japonicum 4

Data from ChEMBL 36 via Core Engine