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Compound Detail

CHEMBL1807077

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Clc1ccc(Cl)c(/N=N/Nc2cc(Cl)ccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807077
Phase Preclinical
Structure Type MOL
InChI Key IXFYOYIBCYZWJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

335.0
MW (Da)
6.41
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7Cl4N3
MW 335.02
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
21550697 10.1016/j.ejmech.2011.04.024 No relevant target 1
21550697 10.1016/j.ejmech.2011.04.024 HeLa 1
28063354 10.1016/j.ejmech.2016.12.060 Mycolicibacterium smegmatis 1
28063354 10.1016/j.ejmech.2016.12.060 Staphylococcus aureus 1
28063354 10.1016/j.ejmech.2016.12.060 Escherichia coli 1
28063354 10.1016/j.ejmech.2016.12.060 Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine