Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3770611

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770611
Phase Preclinical
Structure Type MOL
InChI Key MYOSGIZMCZZDMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.0
MW (Da)
5.34
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.72
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7Cl4N3O
MW 351.02
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Schistosoma japonicum
CHEMBL612644
 IC50 4.95 4.95 11300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Schistosoma japonicum IC50 = 11300.0 nM 4.95 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 2

Data from ChEMBL 36 via Core Engine