Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL128808

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#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 CHEMBL128808
Phase Preclinical
Structure Type MOL
InChI Key RIAHUZSRAVBANR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.2
MW (Da)
4.66
ALogP
4
HBA
1
HBD
78.7
PSA (Ų)
0.71
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 C15H5F9N4O
MW 428.21
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.43

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