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Compound Detail

CHEMBL2152123

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CC(c1ccc(OCc2ccccc2)cc1)N(O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152123
Phase Preclinical
Structure Type MOL
InChI Key YKNSKHOBTSYEQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.10
ALogP
3
HBA
2
HBD
75.8
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 C16H18N2O3
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 360.0 nM 6.44 Inhibition of 5-LOX 22537178

Literature References

PubMed DOI Target Context # Activities
22537178 10.1021/jm300288g Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine