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Compound Detail

CHEMBL278507

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COc1ccc(Cc2oc3c(Cl)cc(C(C)(C)C)c(O)c3c2C)cc1

Basic Information

ChEMBL ID CHEMBL278507
Phase Preclinical
Structure Type MOL
InChI Key UCFHXAAZOLTBBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
6.00
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClO3
MW 358.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.35

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
IC50 7.0 7.0 99.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2542553 10.1021/jm00126a008 Polyunsaturated fatty acid 5-lipoxygenase 1
2542553 10.1021/jm00126a008 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine