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

CHEMBL128598

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
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128598
Phase Preclinical
Structure Type MOL
InChI Key PGSQZRASNXPXIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
5.43
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F6N3O
MW 411.31
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.49

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