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

CHEMBL5266284

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
CC(Br)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266284
Phase Preclinical
Structure Type MOL
InChI Key PCESRJVCFUAIBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

364.1
MW (Da)
4.45
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8BrF6NO
MW 364.08
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.14

Pharmacokinetic Data

Parameter Value Units Species
T1/2 72.0 hr -
T1/2 72.0 hr -

Literature References

PubMed DOI Target Context # Activities
32971426 10.1016/j.ejmech.2020.112836 No relevant target 4
32971426 10.1016/j.ejmech.2020.112836 Tyrosine-protein kinase JAK3 3
32971426 10.1016/j.ejmech.2020.112836 Tyrosine-protein kinase BTK 1
32971426 10.1016/j.ejmech.2020.112836 Mitogen-activated protein kinase 1 1
32971426 10.1016/j.ejmech.2020.112836 Ribosomal protein S6 kinase alpha-3 1
32971426 10.1016/j.ejmech.2020.112836 Dual specificity mitogen-activated protein kinase kinase 4 1
32971426 10.1016/j.ejmech.2020.112836 Maternal embryonic leucine zipper kinase 1

Data from ChEMBL 36 via Core Engine