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Compound Detail

CHEMBL441830

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Cc1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441830
Phase Preclinical
Structure Type MOL
InChI Key MKMMEIWOWMMZFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.2
MW (Da)
5.09
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.69
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 C15H8F9N3O
MW 417.23
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
11052805 10.1021/jm0001626 Transcription factor Jun 2
11052805 10.1021/jm0001626 Nuclear factor NF-kappa-B complex 2

Data from ChEMBL 36 via Core Engine