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

CHEMBL58866

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
C=C(C)N(O)C(C)c1cccc(OCCCC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58866
Phase Preclinical
Structure Type MOL
InChI Key LDZVRZURHACLEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
4.15
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23NO2
MW 249.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 6.41 6.41 390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 390.0 nM 6.41 In vitro inhibition of 5-lipoxygenase from RBL-1 cells 3172130

Literature References

PubMed DOI Target Context # Activities
3172130 10.1021/jm00118a016 Polyunsaturated fatty acid 5-lipoxygenase 1
3172130 10.1021/jm00118a016 Unchecked 1

Data from ChEMBL 36 via Core Engine