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

CHEMBL145306

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@@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145306
Phase Preclinical
Structure Type MOL
InChI Key MMSNEKOTSJRTRI-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN2O2S
MW 318.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 200.0 nM 6.7 5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using huma... 7490726

Literature References

PubMed DOI Target Context # Activities
7490726 10.1021/jm00024a004 Polyunsaturated fatty acid 5-lipoxygenase 1
7490726 10.1021/jm00024a004 Rattus norvegicus 1
7490726 10.1021/jm00024a004 Monkey 1

Data from ChEMBL 36 via Core Engine