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Compound Detail

CHEMBL26200

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CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(=O)O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL26200
Phase Preclinical
Structure Type MOL
InChI Key FNWPQGVCVUJKCE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
5.86
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36O6
MW 456.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.11

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2 beta
CHEMBL4136
IC50 7.77 7.295 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11882004 10.1021/jm011050x Cytosolic phospholipase A2 beta 2
11882004 10.1021/jm011050x No relevant target 1

Data from ChEMBL 36 via Core Engine