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Compound Detail

CHEMBL8797

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CCCCCC(=O)c1cccc(OCc2cccc(C#N)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8797
Phase Preclinical
Structure Type MOL
InChI Key LOOSJDMFVNTZEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.90
ALogP
3
HBA
0
HBD
50.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO2
MW 307.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 6000.0 nM 5.22 Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) 3806607

Literature References

PubMed DOI Target Context # Activities
3806607 10.1021/jm00384a017 Polyunsaturated fatty acid 5-lipoxygenase 1
3806607 10.1021/jm00384a017 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine