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

CHEMBL85293

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
CCOC(=O)c1cnc(N(C(=O)OCC)N2C(=O)C=C(C)C2=O)nc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85293
Phase Preclinical
Structure Type MOL
InChI Key BMHSYHKJHBNZHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.3
MW (Da)
1.87
ALogP
8
HBA
0
HBD
119.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F3N4O6
MW 416.31
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Jurkat
CHEMBL397
 IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Jurkat IC50 = 380.0 nM 6.42 Inhibition of AP-1 and NF-kB-mediated transcriptional activation in Jurkat cells 12182863

Literature References

PubMed DOI Target Context # Activities
12182863 10.1016/s0960-894x(02)00517-6 Jurkat 1

Data from ChEMBL 36 via Core Engine