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Compound Detail

CHEMBL456854

E565
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C=CC/C=C\C/C=C\CCCCCCCc1c(O)c(OC)cc(OCC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456854
Name E565
Phase Preclinical
Structure Type MOL
InChI Key SUAPARZKDSPGMY-NQLNTKRDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
6.47
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H36O4
MW 388.55
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.24

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of Photosystem 2 in spinach thylakoid membrane assessed as inhibition... 12542343

Literature References

PubMed DOI Target Context # Activities
12542343 10.1021/np0203842 Unchecked 1

Data from ChEMBL 36 via Core Engine