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Compound Detail

CHEMBL3770521

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Clc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770521
Phase Preclinical
Structure Type MOL
InChI Key QXMPIJFTMJUUCE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.2
MW (Da)
5.81
ALogP
7
HBA
2
HBD
75.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16Cl4N6O
MW 486.19
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Schistosoma japonicum
CHEMBL612644
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Schistosoma japonicum IC50 = 19000.0 nM 4.72 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 3

Data from ChEMBL 36 via Core Engine