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Compound Detail

CHEMBL44843

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COC(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44843
Phase Preclinical
Structure Type MOL
InChI Key JOUYFNVTNGRAQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.61
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18O5
MW 374.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
8201600 10.1021/jm00037a017 Unchecked 2
9276024 10.1021/jm9701785 Molecular identity unknown 1
9276024 10.1021/jm9701785 Arachidonate 5-lipoxygenase 1
8201600 10.1021/jm00037a017 Arachidonate 5-lipoxygenase 1
8201600 10.1021/jm00037a017 No relevant target 1

Data from ChEMBL 36 via Core Engine