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Compound Detail

CHEMBL59634

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CC(c1ccc(OCc2ccc3ccccc3n2)cc1)N(O)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59634
Phase Preclinical
Structure Type MOL
InChI Key WLODNFCMWRTBIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
5.41
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O3
MW 398.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 400.0 nM 6.4 In vitro inhibition of 5-lipoxygenase from RBL-1 cells 3172130

Literature References

PubMed DOI Target Context # Activities
3172130 10.1021/jm00118a016 Unchecked 2
3172130 10.1021/jm00118a016 Polyunsaturated fatty acid 5-lipoxygenase 1
3172130 10.1021/jm00118a016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine