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Compound Detail

CHEMBL145318

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CC(/C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145318
Phase Preclinical
Structure Type MOL
InChI Key RTJJFGMMZKIEBW-DJWKRKHSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.38
ALogP
4
HBA
2
HBD
88.9
PSA (Ų)
0.65
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 C15H15FN2O4
MW 306.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.02

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 160.0 nM 6.8 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