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

CHEMBL565159

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
CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(CC(=O)O)n2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565159
Phase Preclinical
Structure Type MOL
InChI Key HZHUZSPIGDNKNC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
6.05
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F3NO2
MW 413.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 310.0 nM 6.51 Inhibition of 5-lipoxygenase in bovine polymorphonuclear leucocytes assessed as ... 19719242

Literature References

PubMed DOI Target Context # Activities
19719242 10.1021/jm900481c Prostaglandin E synthase 2
19719242 10.1021/jm900481c Unchecked 1
19719242 10.1021/jm900481c Prostaglandin G/H synthase 1 1
19719242 10.1021/jm900481c Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine