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Compound Detail

CHEMBL430908

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COC1CCc2ccc(OCc3ccc4ccccc4c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430908
Phase Preclinical
Structure Type MOL
InChI Key NOIMGYIQUGMMEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
5.05
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O2
MW 304.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
8289184 10.1021/jm00027a014 Polyunsaturated fatty acid 5-lipoxygenase 1
1648621 10.1021/jm00111a038 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine