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Compound Detail

CHEMBL3341902

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O=C(Nc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(C(F)(F)F)nc(Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3341902
Phase Preclinical
Structure Type MOL
InChI Key DJMQIHDLROZXOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
5.44
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.50
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 C14H5ClF9N3O
MW 437.65
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
24831826 10.1021/jm5004733 Nuclear factor NF-kappa-B complex 1
24831826 10.1021/jm5004733 Transcription factor Jun 1

Data from ChEMBL 36 via Core Engine