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Compound Detail

CHEMBL132457

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O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132457
Phase Preclinical
Structure Type MOL
InChI Key BIERQYNFZBWBRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.7
MW (Da)
6.65
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.53
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 C16H7ClF9NO
MW 435.67
Aromatic Rings 2
Heavy Atoms 28
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
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