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Compound Detail

CHEMBL1807076

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Clc1cc(Cl)c(/N=N/Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807076
Phase Preclinical
Structure Type MOL
InChI Key DEFGQGNTYXRDEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
7.72
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.32
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 C12H5Cl6N3
MW 403.91
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.89

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

Data from ChEMBL 36 via Core Engine