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Compound Detail

CHEMBL340165

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O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340165
Phase Preclinical
Structure Type MOL
InChI Key RIMUCSQPQWEABJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.1
MW (Da)
5.07
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.43
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 C13H5Cl2F6N3O
MW 404.10
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
11052805 10.1021/jm0001626 Transcription factor Jun 1
11052805 10.1021/jm0001626 Nuclear factor NF-kappa-B complex 1

Data from ChEMBL 36 via Core Engine