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Compound Detail

CHEMBL337831

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O=C1c2c(O)cccc2C(C(=O)Cc2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)c2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337831
Phase Preclinical
Structure Type MOL
InChI Key QAGVNQGFUPSMHA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

662.7
MW (Da)
8.32
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H34O7
MW 662.74
Aromatic Rings 6
Heavy Atoms 50
NP-Likeness 0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8258834 10.1021/jm00077a015 Arachidonate 5-lipoxygenase 1
8258834 10.1021/jm00077a015 ADMET 1
8258834 10.1021/jm00077a015 Unchecked 1

Data from ChEMBL 36 via Core Engine