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Compound Detail

CHEMBL42406

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O=C1c2c(O)cccc2Cc2ccc(Cc3cccc(Oc4ccccc4)c3)c(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42406
Phase Preclinical
Structure Type MOL
InChI Key YLXDTHXSTVGDOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
5.62
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.41
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 C27H20O4
MW 408.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.51

Literature References

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

Data from ChEMBL 36 via Core Engine