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Compound Detail

CHEMBL128053

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O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(C(F)(F)F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128053
Phase Preclinical
Structure Type MOL
InChI Key MKPSNGLZOZKPDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)
4.79
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H6F9N3O
MW 403.20
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.40

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