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Compound Detail

CHEMBL44994

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O=C1c2c(O)cccc2Cc2ccc(CCc3ccccc3)c(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44994
Phase Preclinical
Structure Type MOL
InChI Key NGDMVDCVGQRHGU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.02
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.60
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 C22H18O3
MW 330.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.91

Activity Summary

IC50 1 meas.

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 Liposome 1
8201600 10.1021/jm00037a017 No relevant target 1

Data from ChEMBL 36 via Core Engine